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/mRNA-bb560836/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/mRNA-bb560836/inputs/seq.fa: 1
curr_seq: _GCGGCAAAGAGCCCUCCCCCCUGCAGGGCUCCACCCAUCACCCUCCCUCCGU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GCGGCAAAGAGCCCUCCCCCCUGCAGGGCUCCACCCAUCACCCUCCCUCCGU
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/mRNA-bb560836/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/mRNA-bb560836/inputs/seq.fa: 1
curr_seq: _GCGGCAAAGAGCCCUCCCCCCUGCAGGGCUCCACCCAUCACCCUCCCUCCGU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GCGGCAAAGAGCCCUCCCCCCUGCAGGGCUCCACCCAUCACCCUCCCUCCGU
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/mRNA-bb560836/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/mRNA-bb560836/inputs/seq.fa: 1
curr_seq: _GCGGCAAAGAGCCCUCCCCCCUGCAGGGCUCCACCCAUCACCCUCCCUCCGU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GCGGCAAAGAGCCCUCCCCCCUGCAGGGCUCCACCCAUCACCCUCCCUCCGU
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/mRNA-bb560836/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/mRNA-bb560836/inputs/seq.fa: 1
curr_seq: _GCGGCAAAGAGCCCUCCCCCCUGCAGGGCUCCACCCAUCACCCUCCCUCCGU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GCGGCAAAGAGCCCUCCCCCCUGCAGGGCUCCACCCAUCACCCUCCCUCCGU
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/mRNA-bb560836/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/mRNA-bb560836/inputs/seq.fa: 1
curr_seq: _GCGGCAAAGAGCCCUCCCCCCUGCAGGGCUCCACCCAUCACCCUCCCUCCGU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GCGGCAAAGAGCCCUCCCCCCUGCAGGGCUCCACCCAUCACCCUCCCUCCGU
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/mRNA-bb560836/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/mRNA-bb560836/inputs/seq.fa: 1
curr_seq: _GCGGCAAAGAGCCCUCCCCCCUGCAGGGCUCCACCCAUCACCCUCCCUCCGU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GCGGCAAAGAGCCCUCCCCCCUGCAGGGCUCCACCCAUCACCCUCCCUCCGU
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/mRNA-bb560836/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/mRNA-bb560836/inputs/seq.fa: 1
curr_seq: _GCGGCAAAGAGCCCUCCCCCCUGCAGGGCUCCACCCAUCACCCUCCCUCCGU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GCGGCAAAGAGCCCUCCCCCCUGCAGGGCUCCACCCAUCACCCUCCCUCCGU
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/mRNA-bb560836/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/mRNA-bb560836/inputs/seq.fa: 1
curr_seq: _GCGGCAAAGAGCCCUCCCCCCUGCAGGGCUCCACCCAUCACCCUCCCUCCGU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GCGGCAAAGAGCCCUCCCCCCUGCAGGGCUCCACCCAUCACCCUCCCUCCGU
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/mRNA-bb560836/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/mRNA-bb560836/inputs/seq.fa: 1
curr_seq: _GCGGCAAAGAGCCCUCCCCCCUGCAGGGCUCCACCCAUCACCCUCCCUCCGU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GCGGCAAAGAGCCCUCCCCCCUGCAGGGCUCCACCCAUCACCCUCCCUCCGU
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/mRNA-bb560836/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/mRNA-bb560836/inputs/seq.fa: 1
curr_seq: _GCGGCAAAGAGCCCUCCCCCCUGCAGGGCUCCACCCAUCACCCUCCCUCCGU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GCGGCAAAGAGCCCUCCCCCCUGCAGGGCUCCACCCAUCACCCUCCCUCCGU
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: -208.026153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.026153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.026153 (E_RNA)
where:
Base-Base interactions energy: -5.300
where: short stacking energy: -5.300
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: -208.026153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.026153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.026153 (E_RNA)
where:
Base-Base interactions energy: -5.300
where: short stacking energy: -5.300
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: -208.026153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.026153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.026153 (E_RNA)
where:
Base-Base interactions energy: -5.300
where: short stacking energy: -5.300
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: -208.026153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.026153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.026153 (E_RNA)
where:
Base-Base interactions energy: -5.300
where: short stacking energy: -5.300
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: -208.026153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.026153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.026153 (E_RNA)
where:
Base-Base interactions energy: -5.300
where: short stacking energy: -5.300
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: -208.026153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.026153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.026153 (E_RNA)
where:
Base-Base interactions energy: -5.300
where: short stacking energy: -5.300
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: -208.026153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.026153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.026153 (E_RNA)
where:
Base-Base interactions energy: -5.300
where: short stacking energy: -5.300
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: -208.026153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.026153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.026153 (E_RNA)
where:
Base-Base interactions energy: -5.300
where: short stacking energy: -5.300
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: -208.026153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.026153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.026153 (E_RNA)
where:
Base-Base interactions energy: -5.300
where: short stacking energy: -5.300
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: -208.026153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.026153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.026153 (E_RNA)
where:
Base-Base interactions energy: -5.300
where: short stacking energy: -5.300
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: -330.362571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.362571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.362571 (E_RNA)
where:
Base-Base interactions energy: -154.407
where: short stacking energy: -151.254
Base-Backbone interact. energy: 0.279
local terms energy: -176.234784
where:
bonds (distance) C4'-P energy: -39.067
bonds (distance) P-C4' energy: -36.609
flat angles C4'-P-C4' energy: -41.304
flat angles P-C4'-P energy: -23.448
tors. eta vs tors. theta energy: -35.807
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: 2, replica: 2
=====================================
Write number: 2
Temperature: 0.950000
Total energy: -294.299542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.299542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.299542 (E_RNA)
where:
Base-Base interactions energy: -129.523
where: short stacking energy: -128.338
Base-Backbone interact. energy: -0.158
local terms energy: -164.619439
where:
bonds (distance) C4'-P energy: -33.053
bonds (distance) P-C4' energy: -38.076
flat angles C4'-P-C4' energy: -31.988
flat angles P-C4'-P energy: -27.766
tors. eta vs tors. theta energy: -33.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 2
Temperature: 1.000000
Total energy: -287.989045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.989045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.989045 (E_RNA)
where:
Base-Base interactions energy: -121.155
where: short stacking energy: -121.155
Base-Backbone interact. energy: -0.143
local terms energy: -166.691903
where:
bonds (distance) C4'-P energy: -39.618
bonds (distance) P-C4' energy: -35.405
flat angles C4'-P-C4' energy: -32.416
flat angles P-C4'-P energy: -23.796
tors. eta vs tors. theta energy: -35.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 2
Temperature: 1.050000
Total energy: -268.399187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.399187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.399187 (E_RNA)
where:
Base-Base interactions energy: -120.539
where: short stacking energy: -112.488
Base-Backbone interact. energy: -0.175
local terms energy: -147.684727
where:
bonds (distance) C4'-P energy: -33.354
bonds (distance) P-C4' energy: -34.431
flat angles C4'-P-C4' energy: -32.442
flat angles P-C4'-P energy: -22.943
tors. eta vs tors. theta energy: -24.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 2
Temperature: 1.100000
Total energy: -236.989065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.989065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.989065 (E_RNA)
where:
Base-Base interactions energy: -91.829
where: short stacking energy: -91.829
Base-Backbone interact. energy: -0.356
local terms energy: -144.804137
where:
bonds (distance) C4'-P energy: -33.736
bonds (distance) P-C4' energy: -36.564
flat angles C4'-P-C4' energy: -32.265
flat angles P-C4'-P energy: -24.328
tors. eta vs tors. theta energy: -17.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 2
Temperature: 1.150000
Total energy: -219.354519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.354519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.354519 (E_RNA)
where:
Base-Base interactions energy: -79.259
where: short stacking energy: -79.259
Base-Backbone interact. energy: -0.304
local terms energy: -139.791557
where:
bonds (distance) C4'-P energy: -36.278
bonds (distance) P-C4' energy: -30.050
flat angles C4'-P-C4' energy: -32.018
flat angles P-C4'-P energy: -26.272
tors. eta vs tors. theta energy: -15.174
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: 7
=====================================
Write number: 2
Temperature: 1.200000
Total energy: -207.151530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.151530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.151530 (E_RNA)
where:
Base-Base interactions energy: -5.300
where: short stacking energy: -5.300
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: -207.188772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.188772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.188772 (E_RNA)
where:
Base-Base interactions energy: -5.300
where: short stacking energy: -5.300
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: -207.188772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.188772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.188772 (E_RNA)
where:
Base-Base interactions energy: -5.300
where: short stacking energy: -5.300
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: -207.188772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.188772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.188772 (E_RNA)
where:
Base-Base interactions energy: -5.300
where: short stacking energy: -5.300
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: -333.897333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.897333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.897333 (E_RNA)
where:
Base-Base interactions energy: -172.344
where: short stacking energy: -119.625
Base-Backbone interact. energy: -0.175
local terms energy: -161.378119
where:
bonds (distance) C4'-P energy: -39.052
bonds (distance) P-C4' energy: -31.665
flat angles C4'-P-C4' energy: -34.004
flat angles P-C4'-P energy: -26.706
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: 2, replica: 3
=====================================
Write number: 3
Temperature: 0.950000
Total energy: -315.053100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.053100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.053100 (E_RNA)
where:
Base-Base interactions energy: -145.138
where: short stacking energy: -145.138
Base-Backbone interact. energy: 3.078
local terms energy: -172.993344
where:
bonds (distance) C4'-P energy: -31.116
bonds (distance) P-C4' energy: -30.974
flat angles C4'-P-C4' energy: -39.090
flat angles P-C4'-P energy: -24.236
tors. eta vs tors. theta energy: -47.577
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: 3, replica: 2
=====================================
Write number: 3
Temperature: 1.000000
Total energy: -326.676087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.676087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.676087 (E_RNA)
where:
Base-Base interactions energy: -184.807
where: short stacking energy: -130.143
Base-Backbone interact. energy: -0.407
local terms energy: -141.462195
where:
bonds (distance) C4'-P energy: -32.220
bonds (distance) P-C4' energy: -33.681
flat angles C4'-P-C4' energy: -32.221
flat angles P-C4'-P energy: -17.519
tors. eta vs tors. theta energy: -25.821
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: 4
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -256.246939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.246939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.246939 (E_RNA)
where:
Base-Base interactions energy: -122.408
where: short stacking energy: -98.974
Base-Backbone interact. energy: -0.294
local terms energy: -133.544568
where:
bonds (distance) C4'-P energy: -30.421
bonds (distance) P-C4' energy: -31.521
flat angles C4'-P-C4' energy: -30.027
flat angles P-C4'-P energy: -22.763
tors. eta vs tors. theta energy: -18.812
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: 3
Temperature: 1.100000
Total energy: -249.060039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.060039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.060039 (E_RNA)
where:
Base-Base interactions energy: -120.057
where: short stacking energy: -89.802
Base-Backbone interact. energy: -0.190
local terms energy: -128.813467
where:
bonds (distance) C4'-P energy: -30.863
bonds (distance) P-C4' energy: -36.674
flat angles C4'-P-C4' energy: -31.089
flat angles P-C4'-P energy: -14.577
tors. eta vs tors. theta energy: -15.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 3
Temperature: 1.150000
Total energy: -273.068255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.068255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.068255 (E_RNA)
where:
Base-Base interactions energy: -140.537
where: short stacking energy: -94.137
Base-Backbone interact. energy: 0.637
local terms energy: -133.167899
where:
bonds (distance) C4'-P energy: -37.464
bonds (distance) P-C4' energy: -36.159
flat angles C4'-P-C4' energy: -28.873
flat angles P-C4'-P energy: -9.702
tors. eta vs tors. theta energy: -20.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 3
Temperature: 1.200000
Total energy: -243.158046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.158046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.158046 (E_RNA)
where:
Base-Base interactions energy: -123.299
where: short stacking energy: -88.912
Base-Backbone interact. energy: -0.458
local terms energy: -119.400930
where:
bonds (distance) C4'-P energy: -35.685
bonds (distance) P-C4' energy: -22.158
flat angles C4'-P-C4' energy: -30.455
flat angles P-C4'-P energy: -14.542
tors. eta vs tors. theta energy: -16.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 3
Temperature: 1.250000
Total energy: -240.488627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.488627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.488627 (E_RNA)
where:
Base-Base interactions energy: -132.989
where: short stacking energy: -75.470
Base-Backbone interact. energy: -0.418
local terms energy: -107.081768
where:
bonds (distance) C4'-P energy: -25.043
bonds (distance) P-C4' energy: -35.012
flat angles C4'-P-C4' energy: -21.991
flat angles P-C4'-P energy: -13.701
tors. eta vs tors. theta energy: -11.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 3
Temperature: 1.300000
Total energy: -183.423330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.423330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.423330 (E_RNA)
where:
Base-Base interactions energy: -65.963
where: short stacking energy: -55.442
Base-Backbone interact. energy: 0.522
local terms energy: -117.982486
where:
bonds (distance) C4'-P energy: -31.958
bonds (distance) P-C4' energy: -29.971
flat angles C4'-P-C4' energy: -25.873
flat angles P-C4'-P energy: -19.913
tors. eta vs tors. theta energy: -10.268
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: 10
=====================================
Write number: 3
Temperature: 1.350000
Total energy: -150.476744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.476744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.476744 (E_RNA)
where:
Base-Base interactions energy: -61.523
where: short stacking energy: -60.765
Base-Backbone interact. energy: 0.435
local terms energy: -89.387886
where:
bonds (distance) C4'-P energy: -24.297
bonds (distance) P-C4' energy: -31.353
flat angles C4'-P-C4' energy: -24.207
flat angles P-C4'-P energy: -9.837
tors. eta vs tors. theta energy: 0.306
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: 3
=====================================
Write number: 4
Temperature: 0.900000
Total energy: -344.760163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.760163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.760163 (E_RNA)
where:
Base-Base interactions energy: -177.020
where: short stacking energy: -164.862
Base-Backbone interact. energy: -0.030
local terms energy: -167.710358
where:
bonds (distance) C4'-P energy: -33.438
bonds (distance) P-C4' energy: -36.816
flat angles C4'-P-C4' energy: -38.900
flat angles P-C4'-P energy: -21.187
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: 2, replica: 1
=====================================
Write number: 4
Temperature: 0.950000
Total energy: -313.689220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.689220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.689220 (E_RNA)
where:
Base-Base interactions energy: -173.854
where: short stacking energy: -133.367
Base-Backbone interact. energy: -0.315
local terms energy: -139.520733
where:
bonds (distance) C4'-P energy: -32.430
bonds (distance) P-C4' energy: -29.682
flat angles C4'-P-C4' energy: -28.927
flat angles P-C4'-P energy: -15.563
tors. eta vs tors. theta energy: -32.919
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: 3, replica: 2
=====================================
Write number: 4
Temperature: 1.000000
Total energy: -359.402773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.402773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.402773 (E_RNA)
where:
Base-Base interactions energy: -207.705
where: short stacking energy: -120.688
Base-Backbone interact. energy: -1.026
local terms energy: -150.671371
where:
bonds (distance) C4'-P energy: -33.254
bonds (distance) P-C4' energy: -34.080
flat angles C4'-P-C4' energy: -33.228
flat angles P-C4'-P energy: -21.063
tors. eta vs tors. theta energy: -29.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 4
Temperature: 1.050000
Total energy: -282.244626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.244626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.244626 (E_RNA)
where:
Base-Base interactions energy: -138.411
where: short stacking energy: -121.746
Base-Backbone interact. energy: -0.497
local terms energy: -143.336625
where:
bonds (distance) C4'-P energy: -25.987
bonds (distance) P-C4' energy: -35.651
flat angles C4'-P-C4' energy: -33.396
flat angles P-C4'-P energy: -21.699
tors. eta vs tors. theta energy: -26.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -312.898647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.898647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.898647 (E_RNA)
where:
Base-Base interactions energy: -180.150
where: short stacking energy: -88.018
Base-Backbone interact. energy: -0.456
local terms energy: -132.292828
where:
bonds (distance) C4'-P energy: -33.710
bonds (distance) P-C4' energy: -33.082
flat angles C4'-P-C4' energy: -35.279
flat angles P-C4'-P energy: -18.667
tors. eta vs tors. theta energy: -11.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 4
Temperature: 1.150000
Total energy: -267.520995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.520995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.520995 (E_RNA)
where:
Base-Base interactions energy: -132.244
where: short stacking energy: -86.902
Base-Backbone interact. energy: -0.667
local terms energy: -134.609773
where:
bonds (distance) C4'-P energy: -34.444
bonds (distance) P-C4' energy: -34.961
flat angles C4'-P-C4' energy: -32.174
flat angles P-C4'-P energy: -15.336
tors. eta vs tors. theta energy: -17.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 4
Temperature: 1.200000
Total energy: -270.552716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.552716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.552716 (E_RNA)
where:
Base-Base interactions energy: -143.335
where: short stacking energy: -82.968
Base-Backbone interact. energy: -0.454
local terms energy: -126.763940
where:
bonds (distance) C4'-P energy: -28.811
bonds (distance) P-C4' energy: -30.498
flat angles C4'-P-C4' energy: -28.341
flat angles P-C4'-P energy: -21.022
tors. eta vs tors. theta energy: -18.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -260.761759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.761759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.761759 (E_RNA)
where:
Base-Base interactions energy: -139.562
where: short stacking energy: -80.448
Base-Backbone interact. energy: 0.142
local terms energy: -121.341749
where:
bonds (distance) C4'-P energy: -31.198
bonds (distance) P-C4' energy: -35.581
flat angles C4'-P-C4' energy: -28.293
flat angles P-C4'-P energy: -20.266
tors. eta vs tors. theta energy: -6.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 4
Temperature: 1.300000
Total energy: -174.083139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.083139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.083139 (E_RNA)
where:
Base-Base interactions energy: -70.986
where: short stacking energy: -59.225
Base-Backbone interact. energy: 1.177
local terms energy: -104.273716
where:
bonds (distance) C4'-P energy: -25.872
bonds (distance) P-C4' energy: -27.819
flat angles C4'-P-C4' energy: -28.138
flat angles P-C4'-P energy: -22.093
tors. eta vs tors. theta energy: -0.352
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: 10, replica: 9
=====================================
Write number: 4
Temperature: 1.350000
Total energy: -188.288979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.288979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.288979 (E_RNA)
where:
Base-Base interactions energy: -85.662
where: short stacking energy: -50.485
Base-Backbone interact. energy: 0.730
local terms energy: -103.357497
where:
bonds (distance) C4'-P energy: -23.800
bonds (distance) P-C4' energy: -32.039
flat angles C4'-P-C4' energy: -33.982
flat angles P-C4'-P energy: -19.244
tors. eta vs tors. theta energy: 5.708
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: 3
=====================================
Write number: 5
Temperature: 0.900000
Total energy: -348.460315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.460315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.460315 (E_RNA)
where:
Base-Base interactions energy: -178.205
where: short stacking energy: -156.335
Base-Backbone interact. energy: -0.316
local terms energy: -169.939202
where:
bonds (distance) C4'-P energy: -33.483
bonds (distance) P-C4' energy: -35.173
flat angles C4'-P-C4' energy: -33.898
flat angles P-C4'-P energy: -20.644
tors. eta vs tors. theta energy: -46.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -403.705659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.705659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.705659 (E_RNA)
where:
Base-Base interactions energy: -241.202
where: short stacking energy: -133.824
Base-Backbone interact. energy: 1.708
local terms energy: -164.211870
where:
bonds (distance) C4'-P energy: -37.573
bonds (distance) P-C4' energy: -29.268
flat angles C4'-P-C4' energy: -34.722
flat angles P-C4'-P energy: -26.597
tors. eta vs tors. theta energy: -36.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 5
Temperature: 1.000000
Total energy: -331.631597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.631597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.631597 (E_RNA)
where:
Base-Base interactions energy: -188.974
where: short stacking energy: -117.052
Base-Backbone interact. energy: -0.668
local terms energy: -141.990340
where:
bonds (distance) C4'-P energy: -30.555
bonds (distance) P-C4' energy: -26.803
flat angles C4'-P-C4' energy: -31.499
flat angles P-C4'-P energy: -18.543
tors. eta vs tors. theta energy: -34.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -343.092618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.092618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.092618 (E_RNA)
where:
Base-Base interactions energy: -214.422
where: short stacking energy: -104.105
Base-Backbone interact. energy: -1.063
local terms energy: -127.607522
where:
bonds (distance) C4'-P energy: -35.254
bonds (distance) P-C4' energy: -29.990
flat angles C4'-P-C4' energy: -24.500
flat angles P-C4'-P energy: -23.580
tors. eta vs tors. theta energy: -14.283
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: 5
Temperature: 1.100000
Total energy: -271.590637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.590637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.590637 (E_RNA)
where:
Base-Base interactions energy: -133.047
where: short stacking energy: -90.089
Base-Backbone interact. energy: -1.394
local terms energy: -137.149494
where:
bonds (distance) C4'-P energy: -32.298
bonds (distance) P-C4' energy: -33.634
flat angles C4'-P-C4' energy: -32.168
flat angles P-C4'-P energy: -24.030
tors. eta vs tors. theta energy: -15.020
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: 6, replica: 7
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -317.172511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.172511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.172511 (E_RNA)
where:
Base-Base interactions energy: -193.610
where: short stacking energy: -97.660
Base-Backbone interact. energy: -0.307
local terms energy: -123.255276
where:
bonds (distance) C4'-P energy: -29.782
bonds (distance) P-C4' energy: -25.023
flat angles C4'-P-C4' energy: -34.820
flat angles P-C4'-P energy: -16.677
tors. eta vs tors. theta energy: -16.953
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: 5
=====================================
Write number: 5
Temperature: 1.200000
Total energy: -240.529362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.529362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.529362 (E_RNA)
where:
Base-Base interactions energy: -115.763
where: short stacking energy: -79.222
Base-Backbone interact. energy: 1.040
local terms energy: -125.806403
where:
bonds (distance) C4'-P energy: -33.736
bonds (distance) P-C4' energy: -31.149
flat angles C4'-P-C4' energy: -28.905
flat angles P-C4'-P energy: -19.024
tors. eta vs tors. theta energy: -12.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -287.671397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.671397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.671397 (E_RNA)
where:
Base-Base interactions energy: -164.355
where: short stacking energy: -77.970
Base-Backbone interact. energy: -0.903
local terms energy: -122.412812
where:
bonds (distance) C4'-P energy: -28.559
bonds (distance) P-C4' energy: -36.291
flat angles C4'-P-C4' energy: -20.146
flat angles P-C4'-P energy: -22.099
tors. eta vs tors. theta energy: -15.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -170.754141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.754141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.754141 (E_RNA)
where:
Base-Base interactions energy: -70.357
where: short stacking energy: -52.714
Base-Backbone interact. energy: 0.236
local terms energy: -100.632712
where:
bonds (distance) C4'-P energy: -27.782
bonds (distance) P-C4' energy: -30.267
flat angles C4'-P-C4' energy: -27.424
flat angles P-C4'-P energy: -23.529
tors. eta vs tors. theta energy: 8.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 5
Temperature: 1.350000
Total energy: -214.540770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.540770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.540770 (E_RNA)
where:
Base-Base interactions energy: -119.667
where: short stacking energy: -52.927
Base-Backbone interact. energy: 1.620
local terms energy: -96.493788
where:
bonds (distance) C4'-P energy: -29.092
bonds (distance) P-C4' energy: -24.536
flat angles C4'-P-C4' energy: -13.348
flat angles P-C4'-P energy: -24.622
tors. eta vs tors. theta energy: -4.897
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: 1, replica: 2
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -422.569202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.569202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.569202 (E_RNA)
where:
Base-Base interactions energy: -270.549
where: short stacking energy: -145.992
Base-Backbone interact. energy: 4.799
local terms energy: -156.819530
where:
bonds (distance) C4'-P energy: -36.514
bonds (distance) P-C4' energy: -30.610
flat angles C4'-P-C4' energy: -39.726
flat angles P-C4'-P energy: -22.410
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: 2, replica: 3
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -349.509919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.509919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.509919 (E_RNA)
where:
Base-Base interactions energy: -176.253
where: short stacking energy: -156.044
Base-Backbone interact. energy: -0.054
local terms energy: -173.203169
where:
bonds (distance) C4'-P energy: -33.180
bonds (distance) P-C4' energy: -35.317
flat angles C4'-P-C4' energy: -37.813
flat angles P-C4'-P energy: -24.334
tors. eta vs tors. theta energy: -42.559
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: 6
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -418.562207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.562207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.562207 (E_RNA)
where:
Base-Base interactions energy: -270.063
where: short stacking energy: -126.428
Base-Backbone interact. energy: -0.938
local terms energy: -147.561791
where:
bonds (distance) C4'-P energy: -26.117
bonds (distance) P-C4' energy: -35.442
flat angles C4'-P-C4' energy: -36.119
flat angles P-C4'-P energy: -22.580
tors. eta vs tors. theta energy: -27.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 6
Temperature: 1.050000
Total energy: -334.242374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.242374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.242374 (E_RNA)
where:
Base-Base interactions energy: -179.824
where: short stacking energy: -112.932
Base-Backbone interact. energy: -0.178
local terms energy: -154.240626
where:
bonds (distance) C4'-P energy: -36.491
bonds (distance) P-C4' energy: -33.508
flat angles C4'-P-C4' energy: -35.634
flat angles P-C4'-P energy: -20.352
tors. eta vs tors. theta energy: -28.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -343.739254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.739254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.739254 (E_RNA)
where:
Base-Base interactions energy: -210.299
where: short stacking energy: -111.567
Base-Backbone interact. energy: -0.231
local terms energy: -133.209395
where:
bonds (distance) C4'-P energy: -27.098
bonds (distance) P-C4' energy: -33.777
flat angles C4'-P-C4' energy: -32.832
flat angles P-C4'-P energy: -20.910
tors. eta vs tors. theta energy: -18.593
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: 4
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -298.613050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.613050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.613050 (E_RNA)
where:
Base-Base interactions energy: -172.809
where: short stacking energy: -78.540
Base-Backbone interact. energy: 1.133
local terms energy: -126.937043
where:
bonds (distance) C4'-P energy: -36.277
bonds (distance) P-C4' energy: -38.116
flat angles C4'-P-C4' energy: -24.848
flat angles P-C4'-P energy: -17.217
tors. eta vs tors. theta energy: -10.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -330.854579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.854579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.854579 (E_RNA)
where:
Base-Base interactions energy: -202.085
where: short stacking energy: -102.901
Base-Backbone interact. energy: -0.546
local terms energy: -128.223665
where:
bonds (distance) C4'-P energy: -30.130
bonds (distance) P-C4' energy: -30.589
flat angles C4'-P-C4' energy: -21.316
flat angles P-C4'-P energy: -25.138
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: 8, replica: 5
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -215.294149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.294149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.294149 (E_RNA)
where:
Base-Base interactions energy: -112.803
where: short stacking energy: -76.452
Base-Backbone interact. energy: -1.346
local terms energy: -101.145546
where:
bonds (distance) C4'-P energy: -19.533
bonds (distance) P-C4' energy: -29.987
flat angles C4'-P-C4' energy: -31.107
flat angles P-C4'-P energy: -14.774
tors. eta vs tors. theta energy: -5.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -230.864464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.864464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.864464 (E_RNA)
where:
Base-Base interactions energy: -118.878
where: short stacking energy: -58.896
Base-Backbone interact. energy: 1.345
local terms energy: -113.331732
where:
bonds (distance) C4'-P energy: -26.323
bonds (distance) P-C4' energy: -32.358
flat angles C4'-P-C4' energy: -30.163
flat angles P-C4'-P energy: -19.507
tors. eta vs tors. theta energy: -4.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -170.162531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.162531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.162531 (E_RNA)
where:
Base-Base interactions energy: -67.227
where: short stacking energy: -62.540
Base-Backbone interact. energy: -0.198
local terms energy: -102.736746
where:
bonds (distance) C4'-P energy: -29.610
bonds (distance) P-C4' energy: -28.989
flat angles C4'-P-C4' energy: -22.461
flat angles P-C4'-P energy: -20.058
tors. eta vs tors. theta energy: -1.617
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: 1, replica: 2
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -453.255251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.255251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.255251 (E_RNA)
where:
Base-Base interactions energy: -290.792
where: short stacking energy: -157.722
Base-Backbone interact. energy: -0.550
local terms energy: -161.913354
where:
bonds (distance) C4'-P energy: -32.076
bonds (distance) P-C4' energy: -40.289
flat angles C4'-P-C4' energy: -33.183
flat angles P-C4'-P energy: -22.616
tors. eta vs tors. theta energy: -33.750
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: 6
=====================================
Write number: 7
Temperature: 0.950000
Total energy: -437.062381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.062381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.062381 (E_RNA)
where:
Base-Base interactions energy: -291.989
where: short stacking energy: -147.890
Base-Backbone interact. energy: -0.687
local terms energy: -144.386798
where:
bonds (distance) C4'-P energy: -32.874
bonds (distance) P-C4' energy: -33.129
flat angles C4'-P-C4' energy: -29.763
flat angles P-C4'-P energy: -26.507
tors. eta vs tors. theta energy: -22.114
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: 3
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -333.965250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.965250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.965250 (E_RNA)
where:
Base-Base interactions energy: -179.427
where: short stacking energy: -127.884
Base-Backbone interact. energy: -0.379
local terms energy: -154.159673
where:
bonds (distance) C4'-P energy: -32.798
bonds (distance) P-C4' energy: -32.819
flat angles C4'-P-C4' energy: -30.873
flat angles P-C4'-P energy: -27.476
tors. eta vs tors. theta energy: -30.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -378.691589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.691589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.691589 (E_RNA)
where:
Base-Base interactions energy: -224.560
where: short stacking energy: -125.609
Base-Backbone interact. energy: -0.190
local terms energy: -153.942261
where:
bonds (distance) C4'-P energy: -31.083
bonds (distance) P-C4' energy: -29.323
flat angles C4'-P-C4' energy: -38.358
flat angles P-C4'-P energy: -26.587
tors. eta vs tors. theta energy: -28.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 7
Temperature: 1.100000
Total energy: -328.467796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.467796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.467796 (E_RNA)
where:
Base-Base interactions energy: -185.674
where: short stacking energy: -114.095
Base-Backbone interact. energy: -0.777
local terms energy: -142.016249
where:
bonds (distance) C4'-P energy: -24.671
bonds (distance) P-C4' energy: -37.421
flat angles C4'-P-C4' energy: -30.764
flat angles P-C4'-P energy: -22.614
tors. eta vs tors. theta energy: -26.546
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: 8
=====================================
Write number: 7
Temperature: 1.150000
Total energy: -382.038093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.038093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.038093 (E_RNA)
where:
Base-Base interactions energy: -230.352
where: short stacking energy: -127.583
Base-Backbone interact. energy: -1.029
local terms energy: -150.657652
where:
bonds (distance) C4'-P energy: -25.598
bonds (distance) P-C4' energy: -34.859
flat angles C4'-P-C4' energy: -35.295
flat angles P-C4'-P energy: -22.408
tors. eta vs tors. theta energy: -32.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -349.004645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.004645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.004645 (E_RNA)
where:
Base-Base interactions energy: -219.704
where: short stacking energy: -97.160
Base-Backbone interact. energy: -0.598
local terms energy: -128.702284
where:
bonds (distance) C4'-P energy: -33.885
bonds (distance) P-C4' energy: -27.679
flat angles C4'-P-C4' energy: -27.238
flat angles P-C4'-P energy: -22.071
tors. eta vs tors. theta energy: -17.829
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: 9
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -299.377616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.377616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.377616 (E_RNA)
where:
Base-Base interactions energy: -174.738
where: short stacking energy: -94.354
Base-Backbone interact. energy: -0.852
local terms energy: -123.787626
where:
bonds (distance) C4'-P energy: -34.793
bonds (distance) P-C4' energy: -23.730
flat angles C4'-P-C4' energy: -26.508
flat angles P-C4'-P energy: -16.562
tors. eta vs tors. theta energy: -22.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -184.517333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.517333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.517333 (E_RNA)
where:
Base-Base interactions energy: -73.550
where: short stacking energy: -39.078
Base-Backbone interact. energy: -2.469
local terms energy: -108.498197
where:
bonds (distance) C4'-P energy: -26.441
bonds (distance) P-C4' energy: -31.776
flat angles C4'-P-C4' energy: -25.760
flat angles P-C4'-P energy: -21.228
tors. eta vs tors. theta energy: -3.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -166.994306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.994306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.994306 (E_RNA)
where:
Base-Base interactions energy: -63.757
where: short stacking energy: -55.896
Base-Backbone interact. energy: 0.072
local terms energy: -103.309059
where:
bonds (distance) C4'-P energy: -35.349
bonds (distance) P-C4' energy: -25.388
flat angles C4'-P-C4' energy: -22.078
flat angles P-C4'-P energy: -19.678
tors. eta vs tors. theta energy: -0.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -469.681410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.681410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.681410 (E_RNA)
where:
Base-Base interactions energy: -305.878
where: short stacking energy: -151.793
Base-Backbone interact. energy: -0.764
local terms energy: -163.039723
where:
bonds (distance) C4'-P energy: -38.303
bonds (distance) P-C4' energy: -28.087
flat angles C4'-P-C4' energy: -36.327
flat angles P-C4'-P energy: -27.986
tors. eta vs tors. theta energy: -32.336
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: 2
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -425.668834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.668834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.668834 (E_RNA)
where:
Base-Base interactions energy: -271.824
where: short stacking energy: -145.644
Base-Backbone interact. energy: -0.952
local terms energy: -152.892422
where:
bonds (distance) C4'-P energy: -22.848
bonds (distance) P-C4' energy: -34.877
flat angles C4'-P-C4' energy: -38.665
flat angles P-C4'-P energy: -24.543
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: 3, replica: 7
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -391.316136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.316136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.316136 (E_RNA)
where:
Base-Base interactions energy: -243.481
where: short stacking energy: -109.621
Base-Backbone interact. energy: -0.869
local terms energy: -146.966906
where:
bonds (distance) C4'-P energy: -31.379
bonds (distance) P-C4' energy: -34.418
flat angles C4'-P-C4' energy: -37.918
flat angles P-C4'-P energy: -23.720
tors. eta vs tors. theta energy: -19.532
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: 3
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -308.816878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.816878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.816878 (E_RNA)
where:
Base-Base interactions energy: -157.396
where: short stacking energy: -130.958
Base-Backbone interact. energy: -0.017
local terms energy: -151.404352
where:
bonds (distance) C4'-P energy: -36.915
bonds (distance) P-C4' energy: -25.641
flat angles C4'-P-C4' energy: -37.573
flat angles P-C4'-P energy: -18.501
tors. eta vs tors. theta energy: -32.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -395.832906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.832906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.832906 (E_RNA)
where:
Base-Base interactions energy: -250.646
where: short stacking energy: -138.011
Base-Backbone interact. energy: 2.093
local terms energy: -147.279819
where:
bonds (distance) C4'-P energy: -23.181
bonds (distance) P-C4' energy: -34.566
flat angles C4'-P-C4' energy: -34.838
flat angles P-C4'-P energy: -20.573
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: 1
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -294.224525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.224525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.224525 (E_RNA)
where:
Base-Base interactions energy: -169.474
where: short stacking energy: -83.852
Base-Backbone interact. energy: -0.490
local terms energy: -124.260563
where:
bonds (distance) C4'-P energy: -28.023
bonds (distance) P-C4' energy: -29.598
flat angles C4'-P-C4' energy: -30.397
flat angles P-C4'-P energy: -18.075
tors. eta vs tors. theta energy: -18.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -312.559296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.559296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.559296 (E_RNA)
where:
Base-Base interactions energy: -176.296
where: short stacking energy: -98.753
Base-Backbone interact. energy: 0.308
local terms energy: -136.570846
where:
bonds (distance) C4'-P energy: -31.657
bonds (distance) P-C4' energy: -37.043
flat angles C4'-P-C4' energy: -30.788
flat angles P-C4'-P energy: -17.189
tors. eta vs tors. theta energy: -19.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -294.608724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.608724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.608724 (E_RNA)
where:
Base-Base interactions energy: -182.321
where: short stacking energy: -87.581
Base-Backbone interact. energy: -0.311
local terms energy: -111.976174
where:
bonds (distance) C4'-P energy: -23.201
bonds (distance) P-C4' energy: -28.784
flat angles C4'-P-C4' energy: -25.599
flat angles P-C4'-P energy: -20.066
tors. eta vs tors. theta energy: -14.326
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: 5
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -177.172328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.172328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.172328 (E_RNA)
where:
Base-Base interactions energy: -79.827
where: short stacking energy: -51.793
Base-Backbone interact. energy: -1.634
local terms energy: -95.711602
where:
bonds (distance) C4'-P energy: -32.452
bonds (distance) P-C4' energy: -27.291
flat angles C4'-P-C4' energy: -28.820
flat angles P-C4'-P energy: -13.196
tors. eta vs tors. theta energy: 6.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -211.162353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.162353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.162353 (E_RNA)
where:
Base-Base interactions energy: -106.572
where: short stacking energy: -57.205
Base-Backbone interact. energy: 3.425
local terms energy: -108.015635
where:
bonds (distance) C4'-P energy: -28.433
bonds (distance) P-C4' energy: -35.257
flat angles C4'-P-C4' energy: -27.545
flat angles P-C4'-P energy: -12.781
tors. eta vs tors. theta energy: -4.001
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: 6
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -525.266450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.266450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.266450 (E_RNA)
where:
Base-Base interactions energy: -356.552
where: short stacking energy: -158.804
Base-Backbone interact. energy: -0.417
local terms energy: -168.297265
where:
bonds (distance) C4'-P energy: -37.104
bonds (distance) P-C4' energy: -32.231
flat angles C4'-P-C4' energy: -40.088
flat angles P-C4'-P energy: -21.713
tors. eta vs tors. theta energy: -37.162
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: 2, replica: 7
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -431.722295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.722295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.722295 (E_RNA)
where:
Base-Base interactions energy: -279.483
where: short stacking energy: -148.174
Base-Backbone interact. energy: -1.825
local terms energy: -150.414358
where:
bonds (distance) C4'-P energy: -21.073
bonds (distance) P-C4' energy: -29.965
flat angles C4'-P-C4' energy: -36.253
flat angles P-C4'-P energy: -27.613
tors. eta vs tors. theta energy: -35.511
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: 2
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -418.250893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.250893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.250893 (E_RNA)
where:
Base-Base interactions energy: -267.683
where: short stacking energy: -110.084
Base-Backbone interact. energy: -0.113
local terms energy: -150.455631
where:
bonds (distance) C4'-P energy: -38.369
bonds (distance) P-C4' energy: -32.865
flat angles C4'-P-C4' energy: -33.228
flat angles P-C4'-P energy: -26.054
tors. eta vs tors. theta energy: -19.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -398.634546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.634546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.634546 (E_RNA)
where:
Base-Base interactions energy: -259.256
where: short stacking energy: -126.469
Base-Backbone interact. energy: -0.639
local terms energy: -138.739147
where:
bonds (distance) C4'-P energy: -28.018
bonds (distance) P-C4' energy: -37.818
flat angles C4'-P-C4' energy: -27.096
flat angles P-C4'-P energy: -18.853
tors. eta vs tors. theta energy: -26.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -302.741636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.741636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.741636 (E_RNA)
where:
Base-Base interactions energy: -180.314
where: short stacking energy: -92.932
Base-Backbone interact. energy: 0.170
local terms energy: -122.597548
where:
bonds (distance) C4'-P energy: -23.925
bonds (distance) P-C4' energy: -37.968
flat angles C4'-P-C4' energy: -26.312
flat angles P-C4'-P energy: -22.896
tors. eta vs tors. theta energy: -11.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -360.322710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.322710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.322710 (E_RNA)
where:
Base-Base interactions energy: -214.690
where: short stacking energy: -128.174
Base-Backbone interact. energy: -0.278
local terms energy: -145.354548
where:
bonds (distance) C4'-P energy: -29.488
bonds (distance) P-C4' energy: -35.325
flat angles C4'-P-C4' energy: -33.760
flat angles P-C4'-P energy: -12.886
tors. eta vs tors. theta energy: -33.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -256.010698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.010698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.010698 (E_RNA)
where:
Base-Base interactions energy: -151.194
where: short stacking energy: -77.746
Base-Backbone interact. energy: -0.608
local terms energy: -104.208390
where:
bonds (distance) C4'-P energy: -15.590
bonds (distance) P-C4' energy: -31.099
flat angles C4'-P-C4' energy: -28.269
flat angles P-C4'-P energy: -16.968
tors. eta vs tors. theta energy: -12.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -306.238561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.238561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.238561 (E_RNA)
where:
Base-Base interactions energy: -180.248
where: short stacking energy: -84.562
Base-Backbone interact. energy: -0.695
local terms energy: -125.295011
where:
bonds (distance) C4'-P energy: -34.191
bonds (distance) P-C4' energy: -32.473
flat angles C4'-P-C4' energy: -30.726
flat angles P-C4'-P energy: -13.431
tors. eta vs tors. theta energy: -14.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -191.695620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.695620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.695620 (E_RNA)
where:
Base-Base interactions energy: -77.953
where: short stacking energy: -68.416
Base-Backbone interact. energy: -0.714
local terms energy: -113.027882
where:
bonds (distance) C4'-P energy: -29.333
bonds (distance) P-C4' energy: -31.498
flat angles C4'-P-C4' energy: -26.719
flat angles P-C4'-P energy: -19.814
tors. eta vs tors. theta energy: -5.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -224.679033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.679033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.679033 (E_RNA)
where:
Base-Base interactions energy: -114.442
where: short stacking energy: -68.406
Base-Backbone interact. energy: -0.631
local terms energy: -109.606394
where:
bonds (distance) C4'-P energy: -29.596
bonds (distance) P-C4' energy: -32.440
flat angles C4'-P-C4' energy: -27.831
flat angles P-C4'-P energy: -12.192
tors. eta vs tors. theta energy: -7.548
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: 6
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -501.917376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.917376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.917376 (E_RNA)
where:
Base-Base interactions energy: -344.028
where: short stacking energy: -164.825
Base-Backbone interact. energy: -1.410
local terms energy: -156.479208
where:
bonds (distance) C4'-P energy: -36.022
bonds (distance) P-C4' energy: -30.744
flat angles C4'-P-C4' energy: -33.048
flat angles P-C4'-P energy: -21.708
tors. eta vs tors. theta energy: -34.958
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: 7
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -431.154512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.154512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.154512 (E_RNA)
where:
Base-Base interactions energy: -263.755
where: short stacking energy: -149.799
Base-Backbone interact. energy: -0.173
local terms energy: -167.226647
where:
bonds (distance) C4'-P energy: -37.119
bonds (distance) P-C4' energy: -36.238
flat angles C4'-P-C4' energy: -34.147
flat angles P-C4'-P energy: -24.705
tors. eta vs tors. theta energy: -35.018
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: 10
Temperature: 1.000000
Total energy: -430.373368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.373368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.373368 (E_RNA)
where:
Base-Base interactions energy: -287.141
where: short stacking energy: -135.412
Base-Backbone interact. energy: 1.078
local terms energy: -144.310150
where:
bonds (distance) C4'-P energy: -32.344
bonds (distance) P-C4' energy: -31.854
flat angles C4'-P-C4' energy: -34.141
flat angles P-C4'-P energy: -13.022
tors. eta vs tors. theta energy: -32.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -391.452762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.452762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.452762 (E_RNA)
where:
Base-Base interactions energy: -249.946
where: short stacking energy: -128.162
Base-Backbone interact. energy: -0.784
local terms energy: -140.722560
where:
bonds (distance) C4'-P energy: -24.246
bonds (distance) P-C4' energy: -37.664
flat angles C4'-P-C4' energy: -36.971
flat angles P-C4'-P energy: -15.475
tors. eta vs tors. theta energy: -26.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -335.994576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.994576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.994576 (E_RNA)
where:
Base-Base interactions energy: -187.273
where: short stacking energy: -106.321
Base-Backbone interact. energy: -0.402
local terms energy: -148.319466
where:
bonds (distance) C4'-P energy: -36.001
bonds (distance) P-C4' energy: -27.647
flat angles C4'-P-C4' energy: -36.442
flat angles P-C4'-P energy: -23.000
tors. eta vs tors. theta energy: -25.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -305.570551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.570551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.570551 (E_RNA)
where:
Base-Base interactions energy: -156.462
where: short stacking energy: -93.447
Base-Backbone interact. energy: 0.750
local terms energy: -149.859426
where:
bonds (distance) C4'-P energy: -36.194
bonds (distance) P-C4' energy: -32.557
flat angles C4'-P-C4' energy: -35.234
flat angles P-C4'-P energy: -17.696
tors. eta vs tors. theta energy: -28.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -328.562062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.562062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.562062 (E_RNA)
where:
Base-Base interactions energy: -204.463
where: short stacking energy: -115.670
Base-Backbone interact. energy: -0.355
local terms energy: -123.743377
where:
bonds (distance) C4'-P energy: -31.516
bonds (distance) P-C4' energy: -25.518
flat angles C4'-P-C4' energy: -26.235
flat angles P-C4'-P energy: -17.836
tors. eta vs tors. theta energy: -22.638
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: 8, replica: 1
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -261.595820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.595820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.595820 (E_RNA)
where:
Base-Base interactions energy: -143.423
where: short stacking energy: -63.156
Base-Backbone interact. energy: -0.815
local terms energy: -117.357991
where:
bonds (distance) C4'-P energy: -27.585
bonds (distance) P-C4' energy: -31.846
flat angles C4'-P-C4' energy: -32.425
flat angles P-C4'-P energy: -16.773
tors. eta vs tors. theta energy: -8.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -243.332640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.332640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.332640 (E_RNA)
where:
Base-Base interactions energy: -134.121
where: short stacking energy: -65.820
Base-Backbone interact. energy: -1.459
local terms energy: -107.752512
where:
bonds (distance) C4'-P energy: -26.682
bonds (distance) P-C4' energy: -32.518
flat angles C4'-P-C4' energy: -27.202
flat angles P-C4'-P energy: -14.794
tors. eta vs tors. theta energy: -6.558
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: 5
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -213.976747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.976747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.976747 (E_RNA)
where:
Base-Base interactions energy: -105.279
where: short stacking energy: -63.692
Base-Backbone interact. energy: -0.359
local terms energy: -108.338610
where:
bonds (distance) C4'-P energy: -37.957
bonds (distance) P-C4' energy: -30.860
flat angles C4'-P-C4' energy: -20.678
flat angles P-C4'-P energy: -15.549
tors. eta vs tors. theta energy: -3.294
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: 1, replica: 6
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -493.108058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.108058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.108058 (E_RNA)
where:
Base-Base interactions energy: -325.689
where: short stacking energy: -161.921
Base-Backbone interact. energy: 0.213
local terms energy: -167.633017
where:
bonds (distance) C4'-P energy: -29.608
bonds (distance) P-C4' energy: -39.414
flat angles C4'-P-C4' energy: -30.789
flat angles P-C4'-P energy: -28.779
tors. eta vs tors. theta energy: -39.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -462.714872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.714872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.714872 (E_RNA)
where:
Base-Base interactions energy: -298.366
where: short stacking energy: -146.880
Base-Backbone interact. energy: -1.218
local terms energy: -163.130635
where:
bonds (distance) C4'-P energy: -36.647
bonds (distance) P-C4' energy: -31.142
flat angles C4'-P-C4' energy: -37.020
flat angles P-C4'-P energy: -23.474
tors. eta vs tors. theta energy: -34.848
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: 7
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -429.452394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.452394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.452394 (E_RNA)
where:
Base-Base interactions energy: -258.693
where: short stacking energy: -142.755
Base-Backbone interact. energy: 0.060
local terms energy: -170.819919
where:
bonds (distance) C4'-P energy: -29.224
bonds (distance) P-C4' energy: -34.882
flat angles C4'-P-C4' energy: -36.622
flat angles P-C4'-P energy: -30.381
tors. eta vs tors. theta energy: -39.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -405.607764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.607764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.607764 (E_RNA)
where:
Base-Base interactions energy: -249.824
where: short stacking energy: -145.708
Base-Backbone interact. energy: 1.801
local terms energy: -157.585153
where:
bonds (distance) C4'-P energy: -31.929
bonds (distance) P-C4' energy: -38.175
flat angles C4'-P-C4' energy: -31.390
flat angles P-C4'-P energy: -18.812
tors. eta vs tors. theta energy: -37.280
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: 9
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -348.924957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.924957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.924957 (E_RNA)
where:
Base-Base interactions energy: -199.903
where: short stacking energy: -115.330
Base-Backbone interact. energy: -0.235
local terms energy: -148.786215
where:
bonds (distance) C4'-P energy: -36.961
bonds (distance) P-C4' energy: -33.851
flat angles C4'-P-C4' energy: -37.805
flat angles P-C4'-P energy: -17.354
tors. eta vs tors. theta energy: -22.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -346.696869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.696869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.696869 (E_RNA)
where:
Base-Base interactions energy: -211.279
where: short stacking energy: -106.445
Base-Backbone interact. energy: -0.979
local terms energy: -134.439342
where:
bonds (distance) C4'-P energy: -23.840
bonds (distance) P-C4' energy: -38.306
flat angles C4'-P-C4' energy: -33.444
flat angles P-C4'-P energy: -15.656
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: 7, replica: 3
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -255.518325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.518325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.518325 (E_RNA)
where:
Base-Base interactions energy: -141.921
where: short stacking energy: -69.857
Base-Backbone interact. energy: -0.663
local terms energy: -112.933677
where:
bonds (distance) C4'-P energy: -30.935
bonds (distance) P-C4' energy: -28.840
flat angles C4'-P-C4' energy: -30.172
flat angles P-C4'-P energy: -17.138
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: 8, replica: 10
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -274.893526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.893526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.893526 (E_RNA)
where:
Base-Base interactions energy: -147.083
where: short stacking energy: -89.808
Base-Backbone interact. energy: 2.864
local terms energy: -130.674001
where:
bonds (distance) C4'-P energy: -33.312
bonds (distance) P-C4' energy: -33.848
flat angles C4'-P-C4' energy: -31.174
flat angles P-C4'-P energy: -18.083
tors. eta vs tors. theta energy: -14.257
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: 1
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -237.272962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.272962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.272962 (E_RNA)
where:
Base-Base interactions energy: -131.790
where: short stacking energy: -78.281
Base-Backbone interact. energy: -0.732
local terms energy: -104.751221
where:
bonds (distance) C4'-P energy: -17.086
bonds (distance) P-C4' energy: -32.950
flat angles C4'-P-C4' energy: -27.912
flat angles P-C4'-P energy: -16.363
tors. eta vs tors. theta energy: -10.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -209.594784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.594784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.594784 (E_RNA)
where:
Base-Base interactions energy: -106.367
where: short stacking energy: -64.719
Base-Backbone interact. energy: -0.666
local terms energy: -102.562001
where:
bonds (distance) C4'-P energy: -24.543
bonds (distance) P-C4' energy: -28.865
flat angles C4'-P-C4' energy: -29.651
flat angles P-C4'-P energy: -19.127
tors. eta vs tors. theta energy: -0.376
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: 6
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -512.389942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.389942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.389942 (E_RNA)
where:
Base-Base interactions energy: -335.620
where: short stacking energy: -162.874
Base-Backbone interact. energy: -0.867
local terms energy: -175.902892
where:
bonds (distance) C4'-P energy: -39.889
bonds (distance) P-C4' energy: -35.810
flat angles C4'-P-C4' energy: -33.423
flat angles P-C4'-P energy: -26.638
tors. eta vs tors. theta energy: -40.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -441.631980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.631980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.631980 (E_RNA)
where:
Base-Base interactions energy: -277.857
where: short stacking energy: -129.187
Base-Backbone interact. energy: -1.179
local terms energy: -162.596267
where:
bonds (distance) C4'-P energy: -39.456
bonds (distance) P-C4' energy: -29.339
flat angles C4'-P-C4' energy: -38.772
flat angles P-C4'-P energy: -25.795
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: 3, replica: 7
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -424.106926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.106926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.106926 (E_RNA)
where:
Base-Base interactions energy: -261.896
where: short stacking energy: -143.603
Base-Backbone interact. energy: -0.411
local terms energy: -161.800001
where:
bonds (distance) C4'-P energy: -35.736
bonds (distance) P-C4' energy: -29.641
flat angles C4'-P-C4' energy: -40.275
flat angles P-C4'-P energy: -24.493
tors. eta vs tors. theta energy: -31.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -444.951899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.951899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.951899 (E_RNA)
where:
Base-Base interactions energy: -284.931
where: short stacking energy: -143.475
Base-Backbone interact. energy: -0.129
local terms energy: -159.892349
where:
bonds (distance) C4'-P energy: -30.578
bonds (distance) P-C4' energy: -34.149
flat angles C4'-P-C4' energy: -33.930
flat angles P-C4'-P energy: -29.376
tors. eta vs tors. theta energy: -31.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -393.594810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.594810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.594810 (E_RNA)
where:
Base-Base interactions energy: -249.489
where: short stacking energy: -118.174
Base-Backbone interact. energy: -0.146
local terms energy: -143.959898
where:
bonds (distance) C4'-P energy: -34.560
bonds (distance) P-C4' energy: -29.982
flat angles C4'-P-C4' energy: -37.901
flat angles P-C4'-P energy: -19.113
tors. eta vs tors. theta energy: -22.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -391.858213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.858213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.858213 (E_RNA)
where:
Base-Base interactions energy: -248.896
where: short stacking energy: -143.762
Base-Backbone interact. energy: -0.329
local terms energy: -142.633356
where:
bonds (distance) C4'-P energy: -32.285
bonds (distance) P-C4' energy: -28.012
flat angles C4'-P-C4' energy: -27.235
flat angles P-C4'-P energy: -19.706
tors. eta vs tors. theta energy: -35.396
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: 3
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -255.270675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.270675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.270675 (E_RNA)
where:
Base-Base interactions energy: -128.736
where: short stacking energy: -73.275
Base-Backbone interact. energy: -0.837
local terms energy: -125.697749
where:
bonds (distance) C4'-P energy: -32.488
bonds (distance) P-C4' energy: -24.442
flat angles C4'-P-C4' energy: -34.024
flat angles P-C4'-P energy: -19.003
tors. eta vs tors. theta energy: -15.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -232.780192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.780192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.780192 (E_RNA)
where:
Base-Base interactions energy: -117.368
where: short stacking energy: -64.382
Base-Backbone interact. energy: -0.697
local terms energy: -114.715462
where:
bonds (distance) C4'-P energy: -40.078
bonds (distance) P-C4' energy: -39.291
flat angles C4'-P-C4' energy: -23.770
flat angles P-C4'-P energy: -12.245
tors. eta vs tors. theta energy: 0.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -173.056698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.056698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.056698 (E_RNA)
where:
Base-Base interactions energy: -70.571
where: short stacking energy: -43.353
Base-Backbone interact. energy: -0.820
local terms energy: -101.665241
where:
bonds (distance) C4'-P energy: -29.584
bonds (distance) P-C4' energy: -32.898
flat angles C4'-P-C4' energy: -30.433
flat angles P-C4'-P energy: -13.868
tors. eta vs tors. theta energy: 5.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -207.142266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.142266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.142266 (E_RNA)
where:
Base-Base interactions energy: -109.774
where: short stacking energy: -62.268
Base-Backbone interact. energy: -0.903
local terms energy: -96.465425
where:
bonds (distance) C4'-P energy: -27.330
bonds (distance) P-C4' energy: -23.275
flat angles C4'-P-C4' energy: -23.239
flat angles P-C4'-P energy: -14.002
tors. eta vs tors. theta energy: -8.620
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: 6
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -501.919208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.919208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.919208 (E_RNA)
where:
Base-Base interactions energy: -330.573
where: short stacking energy: -163.789
Base-Backbone interact. energy: 0.125
local terms energy: -171.471682
where:
bonds (distance) C4'-P energy: -32.130
bonds (distance) P-C4' energy: -37.847
flat angles C4'-P-C4' energy: -35.777
flat angles P-C4'-P energy: -24.964
tors. eta vs tors. theta energy: -40.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -450.087399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.087399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.087399 (E_RNA)
where:
Base-Base interactions energy: -301.627
where: short stacking energy: -138.272
Base-Backbone interact. energy: -0.576
local terms energy: -147.884946
where:
bonds (distance) C4'-P energy: -35.691
bonds (distance) P-C4' energy: -29.841
flat angles C4'-P-C4' energy: -40.640
flat angles P-C4'-P energy: -14.548
tors. eta vs tors. theta energy: -27.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -414.058212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.058212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.058212 (E_RNA)
where:
Base-Base interactions energy: -253.888
where: short stacking energy: -128.573
Base-Backbone interact. energy: -0.401
local terms energy: -159.769236
where:
bonds (distance) C4'-P energy: -31.969
bonds (distance) P-C4' energy: -36.728
flat angles C4'-P-C4' energy: -30.095
flat angles P-C4'-P energy: -23.881
tors. eta vs tors. theta energy: -37.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -386.064368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.064368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.064368 (E_RNA)
where:
Base-Base interactions energy: -256.428
where: short stacking energy: -131.610
Base-Backbone interact. energy: -0.095
local terms energy: -129.540672
where:
bonds (distance) C4'-P energy: -18.948
bonds (distance) P-C4' energy: -36.292
flat angles C4'-P-C4' energy: -29.304
flat angles P-C4'-P energy: -20.908
tors. eta vs tors. theta energy: -24.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -411.982936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.982936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.982936 (E_RNA)
where:
Base-Base interactions energy: -253.531
where: short stacking energy: -129.129
Base-Backbone interact. energy: -0.102
local terms energy: -158.349318
where:
bonds (distance) C4'-P energy: -37.142
bonds (distance) P-C4' energy: -31.901
flat angles C4'-P-C4' energy: -32.483
flat angles P-C4'-P energy: -24.922
tors. eta vs tors. theta energy: -31.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -383.820884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.820884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.820884 (E_RNA)
where:
Base-Base interactions energy: -242.108
where: short stacking energy: -112.763
Base-Backbone interact. energy: -1.230
local terms energy: -140.482748
where:
bonds (distance) C4'-P energy: -34.961
bonds (distance) P-C4' energy: -28.886
flat angles C4'-P-C4' energy: -30.982
flat angles P-C4'-P energy: -18.948
tors. eta vs tors. theta energy: -26.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -245.191124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.191124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.191124 (E_RNA)
where:
Base-Base interactions energy: -136.573
where: short stacking energy: -57.840
Base-Backbone interact. energy: -0.259
local terms energy: -108.358883
where:
bonds (distance) C4'-P energy: -27.035
bonds (distance) P-C4' energy: -27.986
flat angles C4'-P-C4' energy: -32.858
flat angles P-C4'-P energy: -20.640
tors. eta vs tors. theta energy: 0.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -249.423202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.423202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.423202 (E_RNA)
where:
Base-Base interactions energy: -133.835
where: short stacking energy: -87.942
Base-Backbone interact. energy: 3.675
local terms energy: -119.262654
where:
bonds (distance) C4'-P energy: -28.811
bonds (distance) P-C4' energy: -29.117
flat angles C4'-P-C4' energy: -32.467
flat angles P-C4'-P energy: -18.630
tors. eta vs tors. theta energy: -10.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -193.355393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.355393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.355393 (E_RNA)
where:
Base-Base interactions energy: -90.195
where: short stacking energy: -65.527
Base-Backbone interact. energy: -1.512
local terms energy: -101.648381
where:
bonds (distance) C4'-P energy: -25.819
bonds (distance) P-C4' energy: -33.432
flat angles C4'-P-C4' energy: -29.360
flat angles P-C4'-P energy: -6.335
tors. eta vs tors. theta energy: -6.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -246.830608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.830608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.830608 (E_RNA)
where:
Base-Base interactions energy: -127.009
where: short stacking energy: -59.438
Base-Backbone interact. energy: -1.235
local terms energy: -118.586490
where:
bonds (distance) C4'-P energy: -32.515
bonds (distance) P-C4' energy: -26.626
flat angles C4'-P-C4' energy: -32.966
flat angles P-C4'-P energy: -22.347
tors. eta vs tors. theta energy: -4.133
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: 6
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -507.589774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.589774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.589774 (E_RNA)
where:
Base-Base interactions energy: -336.808
where: short stacking energy: -167.363
Base-Backbone interact. energy: -1.328
local terms energy: -169.452958
where:
bonds (distance) C4'-P energy: -33.230
bonds (distance) P-C4' energy: -39.227
flat angles C4'-P-C4' energy: -34.850
flat angles P-C4'-P energy: -20.993
tors. eta vs tors. theta energy: -41.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -475.609335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.609335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.609335 (E_RNA)
where:
Base-Base interactions energy: -315.016
where: short stacking energy: -153.243
Base-Backbone interact. energy: 0.794
local terms energy: -161.387467
where:
bonds (distance) C4'-P energy: -24.756
bonds (distance) P-C4' energy: -32.237
flat angles C4'-P-C4' energy: -38.554
flat angles P-C4'-P energy: -28.761
tors. eta vs tors. theta energy: -37.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -424.541347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.541347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.541347 (E_RNA)
where:
Base-Base interactions energy: -276.923
where: short stacking energy: -125.505
Base-Backbone interact. energy: -0.614
local terms energy: -147.004486
where:
bonds (distance) C4'-P energy: -31.864
bonds (distance) P-C4' energy: -31.138
flat angles C4'-P-C4' energy: -37.209
flat angles P-C4'-P energy: -20.877
tors. eta vs tors. theta energy: -25.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -407.756358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.756358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.756358 (E_RNA)
where:
Base-Base interactions energy: -257.091
where: short stacking energy: -128.744
Base-Backbone interact. energy: -1.367
local terms energy: -149.297916
where:
bonds (distance) C4'-P energy: -25.324
bonds (distance) P-C4' energy: -34.513
flat angles C4'-P-C4' energy: -36.748
flat angles P-C4'-P energy: -18.869
tors. eta vs tors. theta energy: -33.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -426.130495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.130495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.130495 (E_RNA)
where:
Base-Base interactions energy: -274.621
where: short stacking energy: -146.158
Base-Backbone interact. energy: -0.110
local terms energy: -151.399336
where:
bonds (distance) C4'-P energy: -29.673
bonds (distance) P-C4' energy: -31.215
flat angles C4'-P-C4' energy: -33.119
flat angles P-C4'-P energy: -22.299
tors. eta vs tors. theta energy: -35.093
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: 9
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -406.923852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.923852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.923852 (E_RNA)
where:
Base-Base interactions energy: -265.600
where: short stacking energy: -124.762
Base-Backbone interact. energy: 1.838
local terms energy: -143.162808
where:
bonds (distance) C4'-P energy: -33.673
bonds (distance) P-C4' energy: -30.834
flat angles C4'-P-C4' energy: -27.401
flat angles P-C4'-P energy: -19.176
tors. eta vs tors. theta energy: -32.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -306.898984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.898984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.898984 (E_RNA)
where:
Base-Base interactions energy: -191.392
where: short stacking energy: -101.334
Base-Backbone interact. energy: -0.143
local terms energy: -115.364160
where:
bonds (distance) C4'-P energy: -22.236
bonds (distance) P-C4' energy: -30.958
flat angles C4'-P-C4' energy: -24.086
flat angles P-C4'-P energy: -22.734
tors. eta vs tors. theta energy: -15.350
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: 14
Temperature: 1.250000
Total energy: -235.809733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.809733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.809733 (E_RNA)
where:
Base-Base interactions energy: -117.114
where: short stacking energy: -74.045
Base-Backbone interact. energy: -0.871
local terms energy: -117.823951
where:
bonds (distance) C4'-P energy: -30.312
bonds (distance) P-C4' energy: -34.578
flat angles C4'-P-C4' energy: -27.723
flat angles P-C4'-P energy: -14.202
tors. eta vs tors. theta energy: -11.008
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: 1
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -241.496636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.496636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.496636 (E_RNA)
where:
Base-Base interactions energy: -124.671
where: short stacking energy: -77.370
Base-Backbone interact. energy: -0.498
local terms energy: -116.328042
where:
bonds (distance) C4'-P energy: -33.122
bonds (distance) P-C4' energy: -32.874
flat angles C4'-P-C4' energy: -30.327
flat angles P-C4'-P energy: -12.556
tors. eta vs tors. theta energy: -7.450
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: 5
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -158.314317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.314317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.314317 (E_RNA)
where:
Base-Base interactions energy: -43.036
where: short stacking energy: -43.036
Base-Backbone interact. energy: -1.067
local terms energy: -114.210845
where:
bonds (distance) C4'-P energy: -31.059
bonds (distance) P-C4' energy: -33.515
flat angles C4'-P-C4' energy: -29.239
flat angles P-C4'-P energy: -19.273
tors. eta vs tors. theta energy: -1.126
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: 1, replica: 6
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -510.170334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.170334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.170334 (E_RNA)
where:
Base-Base interactions energy: -340.373
where: short stacking energy: -169.020
Base-Backbone interact. energy: -1.516
local terms energy: -168.281322
where:
bonds (distance) C4'-P energy: -32.713
bonds (distance) P-C4' energy: -32.785
flat angles C4'-P-C4' energy: -40.124
flat angles P-C4'-P energy: -23.923
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: 2, replica: 7
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -466.856243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.856243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.856243 (E_RNA)
where:
Base-Base interactions energy: -299.254
where: short stacking energy: -150.195
Base-Backbone interact. energy: -0.370
local terms energy: -167.231949
where:
bonds (distance) C4'-P energy: -35.127
bonds (distance) P-C4' energy: -41.007
flat angles C4'-P-C4' energy: -34.994
flat angles P-C4'-P energy: -18.038
tors. eta vs tors. theta energy: -38.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -447.810938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.810938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.810938 (E_RNA)
where:
Base-Base interactions energy: -297.409
where: short stacking energy: -136.328
Base-Backbone interact. energy: -1.062
local terms energy: -149.340008
where:
bonds (distance) C4'-P energy: -34.149
bonds (distance) P-C4' energy: -30.195
flat angles C4'-P-C4' energy: -30.521
flat angles P-C4'-P energy: -24.027
tors. eta vs tors. theta energy: -30.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -434.109676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.109676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.109676 (E_RNA)
where:
Base-Base interactions energy: -291.573
where: short stacking energy: -153.685
Base-Backbone interact. energy: 1.019
local terms energy: -143.556148
where:
bonds (distance) C4'-P energy: -25.456
bonds (distance) P-C4' energy: -29.179
flat angles C4'-P-C4' energy: -38.393
flat angles P-C4'-P energy: -20.309
tors. eta vs tors. theta energy: -30.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -406.269744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.269744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.269744 (E_RNA)
where:
Base-Base interactions energy: -254.185
where: short stacking energy: -134.834
Base-Backbone interact. energy: -0.283
local terms energy: -151.801039
where:
bonds (distance) C4'-P energy: -30.815
bonds (distance) P-C4' energy: -38.131
flat angles C4'-P-C4' energy: -35.502
flat angles P-C4'-P energy: -14.493
tors. eta vs tors. theta energy: -32.860
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: 9
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -404.619208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.619208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.619208 (E_RNA)
where:
Base-Base interactions energy: -258.415
where: short stacking energy: -110.991
Base-Backbone interact. energy: 0.724
local terms energy: -146.927601
where:
bonds (distance) C4'-P energy: -36.895
bonds (distance) P-C4' energy: -33.936
flat angles C4'-P-C4' energy: -25.928
flat angles P-C4'-P energy: -23.529
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: 7, replica: 3
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -304.836859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.836859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.836859 (E_RNA)
where:
Base-Base interactions energy: -180.260
where: short stacking energy: -92.238
Base-Backbone interact. energy: 0.034
local terms energy: -124.610408
where:
bonds (distance) C4'-P energy: -30.713
bonds (distance) P-C4' energy: -24.444
flat angles C4'-P-C4' energy: -31.396
flat angles P-C4'-P energy: -21.495
tors. eta vs tors. theta energy: -16.563
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: 8, replica: 1
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -263.424050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.424050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.424050 (E_RNA)
where:
Base-Base interactions energy: -135.553
where: short stacking energy: -72.063
Base-Backbone interact. energy: -0.458
local terms energy: -127.412990
where:
bonds (distance) C4'-P energy: -29.523
bonds (distance) P-C4' energy: -33.611
flat angles C4'-P-C4' energy: -30.237
flat angles P-C4'-P energy: -16.110
tors. eta vs tors. theta energy: -17.932
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: 15
Temperature: 1.300000
Total energy: -238.227904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.227904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.227904 (E_RNA)
where:
Base-Base interactions energy: -127.414
where: short stacking energy: -62.780
Base-Backbone interact. energy: -0.171
local terms energy: -110.643089
where:
bonds (distance) C4'-P energy: -26.383
bonds (distance) P-C4' energy: -28.953
flat angles C4'-P-C4' energy: -26.516
flat angles P-C4'-P energy: -20.769
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: 5
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -154.261933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.261933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.261933 (E_RNA)
where:
Base-Base interactions energy: -53.430
where: short stacking energy: -46.958
Base-Backbone interact. energy: 0.087
local terms energy: -100.918762
where:
bonds (distance) C4'-P energy: -32.705
bonds (distance) P-C4' energy: -32.631
flat angles C4'-P-C4' energy: -23.237
flat angles P-C4'-P energy: -17.407
tors. eta vs tors. theta energy: 5.061
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: 6
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -515.612329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.612329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.612329 (E_RNA)
where:
Base-Base interactions energy: -350.511
where: short stacking energy: -163.230
Base-Backbone interact. energy: -1.183
local terms energy: -163.918005
where:
bonds (distance) C4'-P energy: -39.003
bonds (distance) P-C4' energy: -28.949
flat angles C4'-P-C4' energy: -41.593
flat angles P-C4'-P energy: -20.741
tors. eta vs tors. theta energy: -33.633
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: 7
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -456.487195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.487195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.487195 (E_RNA)
where:
Base-Base interactions energy: -282.067
where: short stacking energy: -147.606
Base-Backbone interact. energy: -0.457
local terms energy: -173.963482
where:
bonds (distance) C4'-P energy: -29.851
bonds (distance) P-C4' energy: -38.863
flat angles C4'-P-C4' energy: -40.732
flat angles P-C4'-P energy: -26.379
tors. eta vs tors. theta energy: -38.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -458.408273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.408273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.408273 (E_RNA)
where:
Base-Base interactions energy: -296.387
where: short stacking energy: -162.575
Base-Backbone interact. energy: -1.427
local terms energy: -160.594570
where:
bonds (distance) C4'-P energy: -35.487
bonds (distance) P-C4' energy: -28.916
flat angles C4'-P-C4' energy: -33.952
flat angles P-C4'-P energy: -22.531
tors. eta vs tors. theta energy: -39.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -437.753468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.753468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.753468 (E_RNA)
where:
Base-Base interactions energy: -279.918
where: short stacking energy: -137.455
Base-Backbone interact. energy: 0.137
local terms energy: -157.972023
where:
bonds (distance) C4'-P energy: -36.426
bonds (distance) P-C4' energy: -34.761
flat angles C4'-P-C4' energy: -38.987
flat angles P-C4'-P energy: -16.068
tors. eta vs tors. theta energy: -31.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -432.340000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.340000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.340000 (E_RNA)
where:
Base-Base interactions energy: -275.331
where: short stacking energy: -137.560
Base-Backbone interact. energy: -0.885
local terms energy: -156.124401
where:
bonds (distance) C4'-P energy: -34.876
bonds (distance) P-C4' energy: -34.432
flat angles C4'-P-C4' energy: -29.872
flat angles P-C4'-P energy: -21.060
tors. eta vs tors. theta energy: -35.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -379.036901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.036901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.036901 (E_RNA)
where:
Base-Base interactions energy: -241.311
where: short stacking energy: -119.165
Base-Backbone interact. energy: -0.243
local terms energy: -137.483716
where:
bonds (distance) C4'-P energy: -33.822
bonds (distance) P-C4' energy: -27.607
flat angles C4'-P-C4' energy: -29.731
flat angles P-C4'-P energy: -20.205
tors. eta vs tors. theta energy: -26.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -279.748489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.748489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.748489 (E_RNA)
where:
Base-Base interactions energy: -158.324
where: short stacking energy: -91.037
Base-Backbone interact. energy: -1.551
local terms energy: -119.873300
where:
bonds (distance) C4'-P energy: -30.322
bonds (distance) P-C4' energy: -31.060
flat angles C4'-P-C4' energy: -30.001
flat angles P-C4'-P energy: -14.368
tors. eta vs tors. theta energy: -14.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -261.986258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.986258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.986258 (E_RNA)
where:
Base-Base interactions energy: -135.628
where: short stacking energy: -85.077
Base-Backbone interact. energy: -0.217
local terms energy: -126.141704
where:
bonds (distance) C4'-P energy: -25.088
bonds (distance) P-C4' energy: -33.436
flat angles C4'-P-C4' energy: -31.621
flat angles P-C4'-P energy: -23.179
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: 9, replica: 10
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -262.017112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.017112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.017112 (E_RNA)
where:
Base-Base interactions energy: -137.610
where: short stacking energy: -91.100
Base-Backbone interact. energy: -2.177
local terms energy: -122.230251
where:
bonds (distance) C4'-P energy: -25.345
bonds (distance) P-C4' energy: -25.987
flat angles C4'-P-C4' energy: -32.326
flat angles P-C4'-P energy: -17.102
tors. eta vs tors. theta energy: -21.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -150.917362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.917362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.917362 (E_RNA)
where:
Base-Base interactions energy: -54.606
where: short stacking energy: -53.869
Base-Backbone interact. energy: -1.412
local terms energy: -94.899312
where:
bonds (distance) C4'-P energy: -27.317
bonds (distance) P-C4' energy: -28.823
flat angles C4'-P-C4' energy: -25.143
flat angles P-C4'-P energy: -17.799
tors. eta vs tors. theta energy: 4.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -518.933197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.933197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.933197 (E_RNA)
where:
Base-Base interactions energy: -350.260
where: short stacking energy: -168.136
Base-Backbone interact. energy: 0.105
local terms energy: -168.777991
where:
bonds (distance) C4'-P energy: -34.365
bonds (distance) P-C4' energy: -36.053
flat angles C4'-P-C4' energy: -38.109
flat angles P-C4'-P energy: -24.129
tors. eta vs tors. theta energy: -36.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -458.023195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.023195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.023195 (E_RNA)
where:
Base-Base interactions energy: -295.166
where: short stacking energy: -145.110
Base-Backbone interact. energy: -1.342
local terms energy: -161.514601
where:
bonds (distance) C4'-P energy: -27.745
bonds (distance) P-C4' energy: -37.805
flat angles C4'-P-C4' energy: -38.920
flat angles P-C4'-P energy: -19.967
tors. eta vs tors. theta energy: -37.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -443.910031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.910031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.910031 (E_RNA)
where:
Base-Base interactions energy: -289.946
where: short stacking energy: -137.923
Base-Backbone interact. energy: -1.581
local terms energy: -152.383082
where:
bonds (distance) C4'-P energy: -32.583
bonds (distance) P-C4' energy: -28.204
flat angles C4'-P-C4' energy: -30.675
flat angles P-C4'-P energy: -22.787
tors. eta vs tors. theta energy: -38.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -439.890123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.890123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.890123 (E_RNA)
where:
Base-Base interactions energy: -280.119
where: short stacking energy: -131.453
Base-Backbone interact. energy: -0.563
local terms energy: -159.208058
where:
bonds (distance) C4'-P energy: -31.613
bonds (distance) P-C4' energy: -33.935
flat angles C4'-P-C4' energy: -35.641
flat angles P-C4'-P energy: -28.740
tors. eta vs tors. theta energy: -29.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -412.817287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.817287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.817287 (E_RNA)
where:
Base-Base interactions energy: -259.198
where: short stacking energy: -132.092
Base-Backbone interact. energy: 0.215
local terms energy: -153.834085
where:
bonds (distance) C4'-P energy: -31.882
bonds (distance) P-C4' energy: -29.484
flat angles C4'-P-C4' energy: -35.830
flat angles P-C4'-P energy: -22.498
tors. eta vs tors. theta energy: -34.141
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: 6, replica: 8
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -333.519809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.519809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.519809 (E_RNA)
where:
Base-Base interactions energy: -205.349
where: short stacking energy: -111.007
Base-Backbone interact. energy: -0.166
local terms energy: -128.004942
where:
bonds (distance) C4'-P energy: -21.882
bonds (distance) P-C4' energy: -35.750
flat angles C4'-P-C4' energy: -34.405
flat angles P-C4'-P energy: -13.660
tors. eta vs tors. theta energy: -22.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -246.594693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.594693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.594693 (E_RNA)
where:
Base-Base interactions energy: -130.285
where: short stacking energy: -75.331
Base-Backbone interact. energy: 0.358
local terms energy: -116.667752
where:
bonds (distance) C4'-P energy: -25.008
bonds (distance) P-C4' energy: -32.945
flat angles C4'-P-C4' energy: -30.262
flat angles P-C4'-P energy: -16.627
tors. eta vs tors. theta energy: -11.825
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: 17
Temperature: 1.250000
Total energy: -264.180824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.180824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.180824 (E_RNA)
where:
Base-Base interactions energy: -140.986
where: short stacking energy: -86.065
Base-Backbone interact. energy: -0.006
local terms energy: -123.189523
where:
bonds (distance) C4'-P energy: -27.961
bonds (distance) P-C4' energy: -26.992
flat angles C4'-P-C4' energy: -25.631
flat angles P-C4'-P energy: -20.755
tors. eta vs tors. theta energy: -21.850
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: 1
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -242.924036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.924036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.924036 (E_RNA)
where:
Base-Base interactions energy: -125.045
where: short stacking energy: -77.989
Base-Backbone interact. energy: 0.203
local terms energy: -118.082161
where:
bonds (distance) C4'-P energy: -28.577
bonds (distance) P-C4' energy: -38.449
flat angles C4'-P-C4' energy: -31.828
flat angles P-C4'-P energy: -13.911
tors. eta vs tors. theta energy: -5.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -161.916780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.916780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.916780 (E_RNA)
where:
Base-Base interactions energy: -60.323
where: short stacking energy: -52.592
Base-Backbone interact. energy: -0.382
local terms energy: -101.211851
where:
bonds (distance) C4'-P energy: -22.259
bonds (distance) P-C4' energy: -32.608
flat angles C4'-P-C4' energy: -29.106
flat angles P-C4'-P energy: -18.281
tors. eta vs tors. theta energy: 1.042
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: 6
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -503.116914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.116914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.116914 (E_RNA)
where:
Base-Base interactions energy: -344.102
where: short stacking energy: -154.427
Base-Backbone interact. energy: 2.180
local terms energy: -161.194128
where:
bonds (distance) C4'-P energy: -33.340
bonds (distance) P-C4' energy: -32.181
flat angles C4'-P-C4' energy: -37.030
flat angles P-C4'-P energy: -28.095
tors. eta vs tors. theta energy: -30.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -463.007571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.007571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.007571 (E_RNA)
where:
Base-Base interactions energy: -300.805
where: short stacking energy: -139.360
Base-Backbone interact. energy: -0.266
local terms energy: -161.936956
where:
bonds (distance) C4'-P energy: -34.105
bonds (distance) P-C4' energy: -33.935
flat angles C4'-P-C4' energy: -35.271
flat angles P-C4'-P energy: -22.232
tors. eta vs tors. theta energy: -36.394
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: 18
Temperature: 1.000000
Total energy: -451.567547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.567547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.567547 (E_RNA)
where:
Base-Base interactions energy: -305.076
where: short stacking energy: -137.162
Base-Backbone interact. energy: -0.602
local terms energy: -145.888830
where:
bonds (distance) C4'-P energy: -23.734
bonds (distance) P-C4' energy: -28.037
flat angles C4'-P-C4' energy: -35.003
flat angles P-C4'-P energy: -24.038
tors. eta vs tors. theta energy: -35.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -434.307057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.307057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.307057 (E_RNA)
where:
Base-Base interactions energy: -258.012
where: short stacking energy: -127.411
Base-Backbone interact. energy: -0.743
local terms energy: -175.552968
where:
bonds (distance) C4'-P energy: -35.560
bonds (distance) P-C4' energy: -39.125
flat angles C4'-P-C4' energy: -41.089
flat angles P-C4'-P energy: -23.660
tors. eta vs tors. theta energy: -36.119
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: 4
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -414.967038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.967038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.967038 (E_RNA)
where:
Base-Base interactions energy: -279.344
where: short stacking energy: -126.893
Base-Backbone interact. energy: -2.350
local terms energy: -133.273301
where:
bonds (distance) C4'-P energy: -29.515
bonds (distance) P-C4' energy: -26.128
flat angles C4'-P-C4' energy: -29.787
flat angles P-C4'-P energy: -22.907
tors. eta vs tors. theta energy: -24.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -327.444464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.444464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.444464 (E_RNA)
where:
Base-Base interactions energy: -207.081
where: short stacking energy: -103.084
Base-Backbone interact. energy: -0.303
local terms energy: -120.060563
where:
bonds (distance) C4'-P energy: -27.497
bonds (distance) P-C4' energy: -27.437
flat angles C4'-P-C4' energy: -30.157
flat angles P-C4'-P energy: -13.277
tors. eta vs tors. theta energy: -21.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -275.574942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.574942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.574942 (E_RNA)
where:
Base-Base interactions energy: -135.144
where: short stacking energy: -87.090
Base-Backbone interact. energy: -0.755
local terms energy: -139.675857
where:
bonds (distance) C4'-P energy: -32.003
bonds (distance) P-C4' energy: -30.460
flat angles C4'-P-C4' energy: -34.474
flat angles P-C4'-P energy: -26.959
tors. eta vs tors. theta energy: -15.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -254.204539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.204539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.204539 (E_RNA)
where:
Base-Base interactions energy: -151.944
where: short stacking energy: -94.501
Base-Backbone interact. energy: 1.356
local terms energy: -103.616033
where:
bonds (distance) C4'-P energy: -30.488
bonds (distance) P-C4' energy: -30.432
flat angles C4'-P-C4' energy: -20.928
flat angles P-C4'-P energy: -7.839
tors. eta vs tors. theta energy: -13.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -162.155208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.155208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.155208 (E_RNA)
where:
Base-Base interactions energy: -61.186
where: short stacking energy: -58.558
Base-Backbone interact. energy: -0.451
local terms energy: -100.518457
where:
bonds (distance) C4'-P energy: -34.893
bonds (distance) P-C4' energy: -31.144
flat angles C4'-P-C4' energy: -23.183
flat angles P-C4'-P energy: -8.745
tors. eta vs tors. theta energy: -2.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -223.242749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.242749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.242749 (E_RNA)
where:
Base-Base interactions energy: -112.003
where: short stacking energy: -70.921
Base-Backbone interact. energy: 0.006
local terms energy: -111.246190
where:
bonds (distance) C4'-P energy: -25.297
bonds (distance) P-C4' energy: -32.130
flat angles C4'-P-C4' energy: -27.079
flat angles P-C4'-P energy: -18.889
tors. eta vs tors. theta energy: -7.851
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: 6
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -492.170452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.170452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.170452 (E_RNA)
where:
Base-Base interactions energy: -329.570
where: short stacking energy: -150.270
Base-Backbone interact. energy: -1.487
local terms energy: -161.113356
where:
bonds (distance) C4'-P energy: -31.929
bonds (distance) P-C4' energy: -36.144
flat angles C4'-P-C4' energy: -33.555
flat angles P-C4'-P energy: -25.192
tors. eta vs tors. theta energy: -34.293
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: 19
Temperature: 0.950000
Total energy: -461.221106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.221106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.221106 (E_RNA)
where:
Base-Base interactions energy: -295.787
where: short stacking energy: -151.971
Base-Backbone interact. energy: 0.017
local terms energy: -165.450963
where:
bonds (distance) C4'-P energy: -33.930
bonds (distance) P-C4' energy: -34.783
flat angles C4'-P-C4' energy: -43.031
flat angles P-C4'-P energy: -20.302
tors. eta vs tors. theta energy: -33.405
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: 9
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -444.610470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.610470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.610470 (E_RNA)
where:
Base-Base interactions energy: -285.960
where: short stacking energy: -135.816
Base-Backbone interact. energy: -0.449
local terms energy: -158.201932
where:
bonds (distance) C4'-P energy: -29.932
bonds (distance) P-C4' energy: -30.380
flat angles C4'-P-C4' energy: -41.246
flat angles P-C4'-P energy: -20.951
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: 4
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -407.103263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.103263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.103263 (E_RNA)
where:
Base-Base interactions energy: -268.536
where: short stacking energy: -143.693
Base-Backbone interact. energy: -0.744
local terms energy: -137.822579
where:
bonds (distance) C4'-P energy: -27.071
bonds (distance) P-C4' energy: -28.658
flat angles C4'-P-C4' energy: -26.114
flat angles P-C4'-P energy: -27.424
tors. eta vs tors. theta energy: -28.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -426.718910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.718910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.718910 (E_RNA)
where:
Base-Base interactions energy: -283.797
where: short stacking energy: -134.233
Base-Backbone interact. energy: -0.491
local terms energy: -142.431171
where:
bonds (distance) C4'-P energy: -29.275
bonds (distance) P-C4' energy: -33.552
flat angles C4'-P-C4' energy: -31.298
flat angles P-C4'-P energy: -16.463
tors. eta vs tors. theta energy: -31.843
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: 8
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -330.617388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.617388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.617388 (E_RNA)
where:
Base-Base interactions energy: -191.128
where: short stacking energy: -104.759
Base-Backbone interact. energy: -0.383
local terms energy: -139.105926
where:
bonds (distance) C4'-P energy: -35.992
bonds (distance) P-C4' energy: -35.888
flat angles C4'-P-C4' energy: -33.216
flat angles P-C4'-P energy: -19.125
tors. eta vs tors. theta energy: -14.885
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: 7, replica: 10
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -299.024802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.024802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.024802 (E_RNA)
where:
Base-Base interactions energy: -174.757
where: short stacking energy: -95.127
Base-Backbone interact. energy: -1.055
local terms energy: -123.212808
where:
bonds (distance) C4'-P energy: -25.097
bonds (distance) P-C4' energy: -32.186
flat angles C4'-P-C4' energy: -25.603
flat angles P-C4'-P energy: -21.321
tors. eta vs tors. theta energy: -19.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -238.851548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.851548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.851548 (E_RNA)
where:
Base-Base interactions energy: -124.270
where: short stacking energy: -73.177
Base-Backbone interact. energy: 1.918
local terms energy: -116.499826
where:
bonds (distance) C4'-P energy: -26.049
bonds (distance) P-C4' energy: -35.312
flat angles C4'-P-C4' energy: -31.650
flat angles P-C4'-P energy: -6.640
tors. eta vs tors. theta energy: -16.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -205.166310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.166310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.166310 (E_RNA)
where:
Base-Base interactions energy: -106.831
where: short stacking energy: -75.472
Base-Backbone interact. energy: 0.712
local terms energy: -99.046638
where:
bonds (distance) C4'-P energy: -28.457
bonds (distance) P-C4' energy: -24.043
flat angles C4'-P-C4' energy: -27.478
flat angles P-C4'-P energy: -11.158
tors. eta vs tors. theta energy: -7.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -232.515895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.515895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.515895 (E_RNA)
where:
Base-Base interactions energy: -134.739
where: short stacking energy: -81.378
Base-Backbone interact. energy: -1.315
local terms energy: -96.462722
where:
bonds (distance) C4'-P energy: -15.870
bonds (distance) P-C4' energy: -29.067
flat angles C4'-P-C4' energy: -27.011
flat angles P-C4'-P energy: -20.420
tors. eta vs tors. theta energy: -4.095
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: 6
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -493.762083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.762083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.762083 (E_RNA)
where:
Base-Base interactions energy: -330.236
where: short stacking energy: -153.795
Base-Backbone interact. energy: -1.951
local terms energy: -161.575472
where:
bonds (distance) C4'-P energy: -28.313
bonds (distance) P-C4' energy: -36.704
flat angles C4'-P-C4' energy: -34.117
flat angles P-C4'-P energy: -22.141
tors. eta vs tors. theta energy: -40.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -485.500047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.500047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.500047 (E_RNA)
where:
Base-Base interactions energy: -316.567
where: short stacking energy: -156.517
Base-Backbone interact. energy: -0.936
local terms energy: -167.997050
where:
bonds (distance) C4'-P energy: -34.327
bonds (distance) P-C4' energy: -36.288
flat angles C4'-P-C4' energy: -36.258
flat angles P-C4'-P energy: -18.983
tors. eta vs tors. theta energy: -42.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -463.059292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.059292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.059292 (E_RNA)
where:
Base-Base interactions energy: -311.035
where: short stacking energy: -143.423
Base-Backbone interact. energy: -0.086
local terms energy: -151.938751
where:
bonds (distance) C4'-P energy: -27.228
bonds (distance) P-C4' energy: -32.095
flat angles C4'-P-C4' energy: -34.953
flat angles P-C4'-P energy: -23.335
tors. eta vs tors. theta energy: -34.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -442.648142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.648142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.648142 (E_RNA)
where:
Base-Base interactions energy: -289.790
where: short stacking energy: -127.970
Base-Backbone interact. energy: -0.923
local terms energy: -151.934870
where:
bonds (distance) C4'-P energy: -32.429
bonds (distance) P-C4' energy: -33.638
flat angles C4'-P-C4' energy: -32.576
flat angles P-C4'-P energy: -23.144
tors. eta vs tors. theta energy: -30.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -422.136141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.136141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.136141 (E_RNA)
where:
Base-Base interactions energy: -272.359
where: short stacking energy: -114.414
Base-Backbone interact. energy: -1.311
local terms energy: -148.465464
where:
bonds (distance) C4'-P energy: -27.910
bonds (distance) P-C4' energy: -37.790
flat angles C4'-P-C4' energy: -37.633
flat angles P-C4'-P energy: -24.034
tors. eta vs tors. theta energy: -21.099
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: 8
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -344.877113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.877113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.877113 (E_RNA)
where:
Base-Base interactions energy: -199.737
where: short stacking energy: -111.133
Base-Backbone interact. energy: -1.345
local terms energy: -143.795515
where:
bonds (distance) C4'-P energy: -34.341
bonds (distance) P-C4' energy: -40.390
flat angles C4'-P-C4' energy: -27.322
flat angles P-C4'-P energy: -20.599
tors. eta vs tors. theta energy: -21.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -322.833836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.833836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.833836 (E_RNA)
where:
Base-Base interactions energy: -205.155
where: short stacking energy: -111.381
Base-Backbone interact. energy: 0.996
local terms energy: -118.674690
where:
bonds (distance) C4'-P energy: -20.901
bonds (distance) P-C4' energy: -27.977
flat angles C4'-P-C4' energy: -36.087
flat angles P-C4'-P energy: -17.842
tors. eta vs tors. theta energy: -15.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -243.499485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.499485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.499485 (E_RNA)
where:
Base-Base interactions energy: -142.103
where: short stacking energy: -66.827
Base-Backbone interact. energy: -1.420
local terms energy: -99.976746
where:
bonds (distance) C4'-P energy: -20.600
bonds (distance) P-C4' energy: -27.196
flat angles C4'-P-C4' energy: -31.151
flat angles P-C4'-P energy: -19.700
tors. eta vs tors. theta energy: -1.331
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: 1
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -241.129395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.129395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.129395 (E_RNA)
where:
Base-Base interactions energy: -131.105
where: short stacking energy: -77.398
Base-Backbone interact. energy: -0.051
local terms energy: -109.973854
where:
bonds (distance) C4'-P energy: -33.988
bonds (distance) P-C4' energy: -29.363
flat angles C4'-P-C4' energy: -29.201
flat angles P-C4'-P energy: -11.055
tors. eta vs tors. theta energy: -6.367
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: 5
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -236.082471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.082471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.082471 (E_RNA)
where:
Base-Base interactions energy: -136.021
where: short stacking energy: -63.749
Base-Backbone interact. energy: -1.074
local terms energy: -98.986974
where:
bonds (distance) C4'-P energy: -29.489
bonds (distance) P-C4' energy: -17.759
flat angles C4'-P-C4' energy: -24.881
flat angles P-C4'-P energy: -14.991
tors. eta vs tors. theta energy: -11.866
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: 6
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -508.163416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.163416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.163416 (E_RNA)
where:
Base-Base interactions energy: -345.822
where: short stacking energy: -160.473
Base-Backbone interact. energy: -0.526
local terms energy: -161.815622
where:
bonds (distance) C4'-P energy: -34.477
bonds (distance) P-C4' energy: -30.993
flat angles C4'-P-C4' energy: -37.439
flat angles P-C4'-P energy: -21.693
tors. eta vs tors. theta energy: -37.213
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: 2
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -486.354379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.354379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.354379 (E_RNA)
where:
Base-Base interactions energy: -316.710
where: short stacking energy: -166.253
Base-Backbone interact. energy: -0.028
local terms energy: -169.616316
where:
bonds (distance) C4'-P energy: -34.451
bonds (distance) P-C4' energy: -29.887
flat angles C4'-P-C4' energy: -34.765
flat angles P-C4'-P energy: -30.113
tors. eta vs tors. theta energy: -40.400
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: 4
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -455.160882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.160882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.160882 (E_RNA)
where:
Base-Base interactions energy: -308.437
where: short stacking energy: -138.335
Base-Backbone interact. energy: -0.879
local terms energy: -145.844455
where:
bonds (distance) C4'-P energy: -28.027
bonds (distance) P-C4' energy: -35.625
flat angles C4'-P-C4' energy: -35.755
flat angles P-C4'-P energy: -13.549
tors. eta vs tors. theta energy: -32.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -392.867277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.867277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.867277 (E_RNA)
where:
Base-Base interactions energy: -250.732
where: short stacking energy: -112.893
Base-Backbone interact. energy: -0.971
local terms energy: -141.164380
where:
bonds (distance) C4'-P energy: -34.100
bonds (distance) P-C4' energy: -33.790
flat angles C4'-P-C4' energy: -34.154
flat angles P-C4'-P energy: -24.299
tors. eta vs tors. theta energy: -14.822
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: 9
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -435.780308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.780308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.780308 (E_RNA)
where:
Base-Base interactions energy: -280.746
where: short stacking energy: -132.329
Base-Backbone interact. energy: -1.086
local terms energy: -153.948529
where:
bonds (distance) C4'-P energy: -37.243
bonds (distance) P-C4' energy: -32.872
flat angles C4'-P-C4' energy: -26.559
flat angles P-C4'-P energy: -26.486
tors. eta vs tors. theta energy: -30.790
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: 8
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -339.305309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.305309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.305309 (E_RNA)
where:
Base-Base interactions energy: -209.492
where: short stacking energy: -114.101
Base-Backbone interact. energy: -0.242
local terms energy: -129.570834
where:
bonds (distance) C4'-P energy: -25.878
bonds (distance) P-C4' energy: -28.372
flat angles C4'-P-C4' energy: -29.820
flat angles P-C4'-P energy: -19.356
tors. eta vs tors. theta energy: -26.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -311.634825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.634825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.634825 (E_RNA)
where:
Base-Base interactions energy: -171.006
where: short stacking energy: -96.585
Base-Backbone interact. energy: -0.164
local terms energy: -140.465510
where:
bonds (distance) C4'-P energy: -28.886
bonds (distance) P-C4' energy: -40.556
flat angles C4'-P-C4' energy: -35.984
flat angles P-C4'-P energy: -20.781
tors. eta vs tors. theta energy: -14.259
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: 3
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -253.020968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.020968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.020968 (E_RNA)
where:
Base-Base interactions energy: -141.101
where: short stacking energy: -83.679
Base-Backbone interact. energy: -1.546
local terms energy: -110.374538
where:
bonds (distance) C4'-P energy: -27.445
bonds (distance) P-C4' energy: -31.600
flat angles C4'-P-C4' energy: -26.662
flat angles P-C4'-P energy: -14.057
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: 9, replica: 1
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -251.035997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.035997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.035997 (E_RNA)
where:
Base-Base interactions energy: -125.961
where: short stacking energy: -79.332
Base-Backbone interact. energy: 1.611
local terms energy: -126.686218
where:
bonds (distance) C4'-P energy: -35.404
bonds (distance) P-C4' energy: -36.792
flat angles C4'-P-C4' energy: -27.976
flat angles P-C4'-P energy: -17.809
tors. eta vs tors. theta energy: -8.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -241.510928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.510928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.510928 (E_RNA)
where:
Base-Base interactions energy: -129.451
where: short stacking energy: -61.205
Base-Backbone interact. energy: 0.383
local terms energy: -112.442929
where:
bonds (distance) C4'-P energy: -33.144
bonds (distance) P-C4' energy: -30.796
flat angles C4'-P-C4' energy: -21.429
flat angles P-C4'-P energy: -21.406
tors. eta vs tors. theta energy: -5.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -521.217411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.217411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.217411 (E_RNA)
where:
Base-Base interactions energy: -348.465
where: short stacking energy: -163.942
Base-Backbone interact. energy: 2.355
local terms energy: -175.107317
where:
bonds (distance) C4'-P energy: -35.941
bonds (distance) P-C4' energy: -37.598
flat angles C4'-P-C4' energy: -32.998
flat angles P-C4'-P energy: -26.615
tors. eta vs tors. theta energy: -41.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -483.816538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.816538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.816538 (E_RNA)
where:
Base-Base interactions energy: -311.048
where: short stacking energy: -158.802
Base-Backbone interact. energy: -0.288
local terms energy: -172.479892
where:
bonds (distance) C4'-P energy: -34.326
bonds (distance) P-C4' energy: -37.574
flat angles C4'-P-C4' energy: -32.560
flat angles P-C4'-P energy: -27.489
tors. eta vs tors. theta energy: -40.530
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: 4
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -461.210404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.210404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.210404 (E_RNA)
where:
Base-Base interactions energy: -301.311
where: short stacking energy: -145.815
Base-Backbone interact. energy: -0.469
local terms energy: -159.429817
where:
bonds (distance) C4'-P energy: -36.374
bonds (distance) P-C4' energy: -35.486
flat angles C4'-P-C4' energy: -32.395
flat angles P-C4'-P energy: -19.730
tors. eta vs tors. theta energy: -35.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -414.896109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.896109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.896109 (E_RNA)
where:
Base-Base interactions energy: -269.469
where: short stacking energy: -113.343
Base-Backbone interact. energy: 1.230
local terms energy: -146.656588
where:
bonds (distance) C4'-P energy: -34.598
bonds (distance) P-C4' energy: -25.938
flat angles C4'-P-C4' energy: -34.285
flat angles P-C4'-P energy: -26.961
tors. eta vs tors. theta energy: -24.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -415.111415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.111415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.111415 (E_RNA)
where:
Base-Base interactions energy: -272.729
where: short stacking energy: -131.587
Base-Backbone interact. energy: -0.732
local terms energy: -141.649980
where:
bonds (distance) C4'-P energy: -27.640
bonds (distance) P-C4' energy: -34.654
flat angles C4'-P-C4' energy: -32.520
flat angles P-C4'-P energy: -16.087
tors. eta vs tors. theta energy: -30.749
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: 8
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -340.869527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.869527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.869527 (E_RNA)
where:
Base-Base interactions energy: -198.678
where: short stacking energy: -102.447
Base-Backbone interact. energy: -1.502
local terms energy: -140.689504
where:
bonds (distance) C4'-P energy: -34.025
bonds (distance) P-C4' energy: -34.152
flat angles C4'-P-C4' energy: -30.710
flat angles P-C4'-P energy: -21.550
tors. eta vs tors. theta energy: -20.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -259.117688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.117688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.117688 (E_RNA)
where:
Base-Base interactions energy: -144.645
where: short stacking energy: -77.242
Base-Backbone interact. energy: -0.322
local terms energy: -114.151355
where:
bonds (distance) C4'-P energy: -29.521
bonds (distance) P-C4' energy: -26.577
flat angles C4'-P-C4' energy: -32.806
flat angles P-C4'-P energy: -19.507
tors. eta vs tors. theta energy: -5.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -260.996774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.996774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.996774 (E_RNA)
where:
Base-Base interactions energy: -147.664
where: short stacking energy: -77.606
Base-Backbone interact. energy: -0.988
local terms energy: -112.345649
where:
bonds (distance) C4'-P energy: -33.396
bonds (distance) P-C4' energy: -35.447
flat angles C4'-P-C4' energy: -15.288
flat angles P-C4'-P energy: -15.438
tors. eta vs tors. theta energy: -12.776
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: 5
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -290.916105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.916105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.916105 (E_RNA)
where:
Base-Base interactions energy: -174.939
where: short stacking energy: -84.840
Base-Backbone interact. energy: -0.448
local terms energy: -115.529320
where:
bonds (distance) C4'-P energy: -29.623
bonds (distance) P-C4' energy: -32.554
flat angles C4'-P-C4' energy: -26.033
flat angles P-C4'-P energy: -11.949
tors. eta vs tors. theta energy: -15.370
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: 10, replica: 1
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -218.163003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.163003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.163003 (E_RNA)
where:
Base-Base interactions energy: -114.116
where: short stacking energy: -67.564
Base-Backbone interact. energy: -0.717
local terms energy: -103.330179
where:
bonds (distance) C4'-P energy: -26.555
bonds (distance) P-C4' energy: -28.182
flat angles C4'-P-C4' energy: -32.468
flat angles P-C4'-P energy: -16.564
tors. eta vs tors. theta energy: 0.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -512.222173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.222173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.222173 (E_RNA)
where:
Base-Base interactions energy: -345.923
where: short stacking energy: -167.778
Base-Backbone interact. energy: 1.263
local terms energy: -167.562636
where:
bonds (distance) C4'-P energy: -35.772
bonds (distance) P-C4' energy: -30.442
flat angles C4'-P-C4' energy: -37.857
flat angles P-C4'-P energy: -24.916
tors. eta vs tors. theta energy: -38.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -499.255978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.255978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.255978 (E_RNA)
where:
Base-Base interactions energy: -332.724
where: short stacking energy: -160.422
Base-Backbone interact. energy: -0.122
local terms energy: -166.409817
where:
bonds (distance) C4'-P energy: -33.049
bonds (distance) P-C4' energy: -32.866
flat angles C4'-P-C4' energy: -33.522
flat angles P-C4'-P energy: -28.074
tors. eta vs tors. theta energy: -38.899
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: 3, replica: 2
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -457.379165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.379165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.379165 (E_RNA)
where:
Base-Base interactions energy: -293.515
where: short stacking energy: -154.704
Base-Backbone interact. energy: -0.098
local terms energy: -163.766302
where:
bonds (distance) C4'-P energy: -27.887
bonds (distance) P-C4' energy: -36.497
flat angles C4'-P-C4' energy: -35.666
flat angles P-C4'-P energy: -24.606
tors. eta vs tors. theta energy: -39.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -437.172143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.172143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.172143 (E_RNA)
where:
Base-Base interactions energy: -284.691
where: short stacking energy: -138.193
Base-Backbone interact. energy: -1.967
local terms energy: -150.514343
where:
bonds (distance) C4'-P energy: -30.608
bonds (distance) P-C4' energy: -36.402
flat angles C4'-P-C4' energy: -34.343
flat angles P-C4'-P energy: -14.273
tors. eta vs tors. theta energy: -34.888
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: 5, replica: 7
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -383.380538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.380538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.380538 (E_RNA)
where:
Base-Base interactions energy: -241.615
where: short stacking energy: -125.985
Base-Backbone interact. energy: -0.015
local terms energy: -141.750216
where:
bonds (distance) C4'-P energy: -29.249
bonds (distance) P-C4' energy: -31.108
flat angles C4'-P-C4' energy: -27.953
flat angles P-C4'-P energy: -18.413
tors. eta vs tors. theta energy: -35.027
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: 23
Temperature: 1.150000
Total energy: -354.574846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.574846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.574846 (E_RNA)
where:
Base-Base interactions energy: -207.966
where: short stacking energy: -100.569
Base-Backbone interact. energy: -0.266
local terms energy: -146.342292
where:
bonds (distance) C4'-P energy: -32.407
bonds (distance) P-C4' energy: -30.298
flat angles C4'-P-C4' energy: -31.102
flat angles P-C4'-P energy: -28.313
tors. eta vs tors. theta energy: -24.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -267.071398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.071398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.071398 (E_RNA)
where:
Base-Base interactions energy: -140.449
where: short stacking energy: -79.290
Base-Backbone interact. energy: -0.439
local terms energy: -126.182863
where:
bonds (distance) C4'-P energy: -27.991
bonds (distance) P-C4' energy: -36.674
flat angles C4'-P-C4' energy: -23.975
flat angles P-C4'-P energy: -23.807
tors. eta vs tors. theta energy: -13.734
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: 5
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -302.062148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.062148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.062148 (E_RNA)
where:
Base-Base interactions energy: -188.864
where: short stacking energy: -89.639
Base-Backbone interact. energy: -1.334
local terms energy: -111.863597
where:
bonds (distance) C4'-P energy: -26.028
bonds (distance) P-C4' energy: -22.732
flat angles C4'-P-C4' energy: -30.881
flat angles P-C4'-P energy: -14.995
tors. eta vs tors. theta energy: -17.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -265.562725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.562725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.562725 (E_RNA)
where:
Base-Base interactions energy: -132.210
where: short stacking energy: -77.663
Base-Backbone interact. energy: -0.027
local terms energy: -133.325205
where:
bonds (distance) C4'-P energy: -32.596
bonds (distance) P-C4' energy: -33.447
flat angles C4'-P-C4' energy: -28.532
flat angles P-C4'-P energy: -24.272
tors. eta vs tors. theta energy: -14.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -223.778868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.778868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.778868 (E_RNA)
where:
Base-Base interactions energy: -116.568
where: short stacking energy: -74.065
Base-Backbone interact. energy: -0.513
local terms energy: -106.697861
where:
bonds (distance) C4'-P energy: -26.357
bonds (distance) P-C4' energy: -29.519
flat angles C4'-P-C4' energy: -30.947
flat angles P-C4'-P energy: -11.668
tors. eta vs tors. theta energy: -8.207
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: 1, replica: 4
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -532.388852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.388852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.388852 (E_RNA)
where:
Base-Base interactions energy: -367.363
where: short stacking energy: -165.614
Base-Backbone interact. energy: 0.756
local terms energy: -165.781129
where:
bonds (distance) C4'-P energy: -33.109
bonds (distance) P-C4' energy: -35.602
flat angles C4'-P-C4' energy: -36.531
flat angles P-C4'-P energy: -20.331
tors. eta vs tors. theta energy: -40.208
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: 6
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -496.216024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.216024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.216024 (E_RNA)
where:
Base-Base interactions energy: -328.752
where: short stacking energy: -162.056
Base-Backbone interact. energy: -0.934
local terms energy: -166.530402
where:
bonds (distance) C4'-P energy: -30.171
bonds (distance) P-C4' energy: -34.852
flat angles C4'-P-C4' energy: -38.694
flat angles P-C4'-P energy: -24.104
tors. eta vs tors. theta energy: -38.710
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: 3, replica: 9
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -457.054157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.054157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.054157 (E_RNA)
where:
Base-Base interactions energy: -285.689
where: short stacking energy: -127.952
Base-Backbone interact. energy: -0.921
local terms energy: -170.444693
where:
bonds (distance) C4'-P energy: -26.442
bonds (distance) P-C4' energy: -33.561
flat angles C4'-P-C4' energy: -37.803
flat angles P-C4'-P energy: -29.285
tors. eta vs tors. theta energy: -43.354
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: 2
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -437.850482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.850482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.850482 (E_RNA)
where:
Base-Base interactions energy: -273.448
where: short stacking energy: -143.603
Base-Backbone interact. energy: -0.345
local terms energy: -164.057419
where:
bonds (distance) C4'-P energy: -35.549
bonds (distance) P-C4' energy: -31.517
flat angles C4'-P-C4' energy: -32.728
flat angles P-C4'-P energy: -22.222
tors. eta vs tors. theta energy: -42.041
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: 7
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -369.629099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.629099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.629099 (E_RNA)
where:
Base-Base interactions energy: -219.823
where: short stacking energy: -121.035
Base-Backbone interact. energy: -0.839
local terms energy: -148.967116
where:
bonds (distance) C4'-P energy: -35.176
bonds (distance) P-C4' energy: -32.389
flat angles C4'-P-C4' energy: -31.962
flat angles P-C4'-P energy: -26.156
tors. eta vs tors. theta energy: -23.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -380.392681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.392681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.392681 (E_RNA)
where:
Base-Base interactions energy: -240.197
where: short stacking energy: -106.307
Base-Backbone interact. energy: -0.416
local terms energy: -139.779688
where:
bonds (distance) C4'-P energy: -31.860
bonds (distance) P-C4' energy: -32.162
flat angles C4'-P-C4' energy: -33.176
flat angles P-C4'-P energy: -19.834
tors. eta vs tors. theta energy: -22.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -304.135843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.135843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.135843 (E_RNA)
where:
Base-Base interactions energy: -188.369
where: short stacking energy: -87.686
Base-Backbone interact. energy: 1.208
local terms energy: -116.974449
where:
bonds (distance) C4'-P energy: -14.674
bonds (distance) P-C4' energy: -32.159
flat angles C4'-P-C4' energy: -33.019
flat angles P-C4'-P energy: -20.225
tors. eta vs tors. theta energy: -16.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -248.665920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.665920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.665920 (E_RNA)
where:
Base-Base interactions energy: -134.542
where: short stacking energy: -67.471
Base-Backbone interact. energy: -0.237
local terms energy: -113.886750
where:
bonds (distance) C4'-P energy: -25.812
bonds (distance) P-C4' energy: -34.920
flat angles C4'-P-C4' energy: -30.692
flat angles P-C4'-P energy: -12.238
tors. eta vs tors. theta energy: -10.225
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: 24
Temperature: 1.300000
Total energy: -270.958646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.958646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.958646 (E_RNA)
where:
Base-Base interactions energy: -151.168
where: short stacking energy: -99.897
Base-Backbone interact. energy: -0.555
local terms energy: -119.235275
where:
bonds (distance) C4'-P energy: -30.613
bonds (distance) P-C4' energy: -28.709
flat angles C4'-P-C4' energy: -34.410
flat angles P-C4'-P energy: -11.781
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: 1
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -226.644014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.644014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.644014 (E_RNA)
where:
Base-Base interactions energy: -116.842
where: short stacking energy: -68.021
Base-Backbone interact. energy: 1.584
local terms energy: -111.386390
where:
bonds (distance) C4'-P energy: -30.296
bonds (distance) P-C4' energy: -23.162
flat angles C4'-P-C4' energy: -31.712
flat angles P-C4'-P energy: -17.117
tors. eta vs tors. theta energy: -9.100
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: 1, replica: 4
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -547.777515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.777515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.777515 (E_RNA)
where:
Base-Base interactions energy: -366.366
where: short stacking energy: -169.030
Base-Backbone interact. energy: -0.731
local terms energy: -180.679706
where:
bonds (distance) C4'-P energy: -39.714
bonds (distance) P-C4' energy: -38.428
flat angles C4'-P-C4' energy: -32.806
flat angles P-C4'-P energy: -28.313
tors. eta vs tors. theta energy: -41.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -494.035974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.035974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.035974 (E_RNA)
where:
Base-Base interactions energy: -336.578
where: short stacking energy: -167.325
Base-Backbone interact. energy: -0.150
local terms energy: -157.308205
where:
bonds (distance) C4'-P energy: -30.038
bonds (distance) P-C4' energy: -29.582
flat angles C4'-P-C4' energy: -40.350
flat angles P-C4'-P energy: -23.985
tors. eta vs tors. theta energy: -33.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -475.395163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.395163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.395163 (E_RNA)
where:
Base-Base interactions energy: -327.346
where: short stacking energy: -146.391
Base-Backbone interact. energy: 2.214
local terms energy: -150.262865
where:
bonds (distance) C4'-P energy: -28.293
bonds (distance) P-C4' energy: -32.521
flat angles C4'-P-C4' energy: -31.935
flat angles P-C4'-P energy: -23.977
tors. eta vs tors. theta energy: -33.537
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: 25
Temperature: 1.050000
Total energy: -387.850474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.850474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.850474 (E_RNA)
where:
Base-Base interactions energy: -235.359
where: short stacking energy: -131.611
Base-Backbone interact. energy: -0.765
local terms energy: -151.726136
where:
bonds (distance) C4'-P energy: -25.559
bonds (distance) P-C4' energy: -33.615
flat angles C4'-P-C4' energy: -37.138
flat angles P-C4'-P energy: -23.584
tors. eta vs tors. theta energy: -31.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -389.963752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.963752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.963752 (E_RNA)
where:
Base-Base interactions energy: -246.549
where: short stacking energy: -123.241
Base-Backbone interact. energy: -2.325
local terms energy: -141.089843
where:
bonds (distance) C4'-P energy: -30.543
bonds (distance) P-C4' energy: -27.931
flat angles C4'-P-C4' energy: -34.042
flat angles P-C4'-P energy: -22.358
tors. eta vs tors. theta energy: -26.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -365.526982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.526982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.526982 (E_RNA)
where:
Base-Base interactions energy: -227.337
where: short stacking energy: -106.158
Base-Backbone interact. energy: 1.585
local terms energy: -139.774927
where:
bonds (distance) C4'-P energy: -35.376
bonds (distance) P-C4' energy: -31.375
flat angles C4'-P-C4' energy: -30.735
flat angles P-C4'-P energy: -21.562
tors. eta vs tors. theta energy: -20.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -324.057589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.057589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.057589 (E_RNA)
where:
Base-Base interactions energy: -181.561
where: short stacking energy: -92.439
Base-Backbone interact. energy: -0.546
local terms energy: -141.950319
where:
bonds (distance) C4'-P energy: -35.015
bonds (distance) P-C4' energy: -34.776
flat angles C4'-P-C4' energy: -33.592
flat angles P-C4'-P energy: -19.224
tors. eta vs tors. theta energy: -19.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -235.645240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.645240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.645240 (E_RNA)
where:
Base-Base interactions energy: -111.640
where: short stacking energy: -55.881
Base-Backbone interact. energy: 0.981
local terms energy: -124.986080
where:
bonds (distance) C4'-P energy: -34.138
bonds (distance) P-C4' energy: -34.729
flat angles C4'-P-C4' energy: -32.103
flat angles P-C4'-P energy: -22.485
tors. eta vs tors. theta energy: -1.531
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: 25
Temperature: 1.300000
Total energy: -238.016705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.016705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.016705 (E_RNA)
where:
Base-Base interactions energy: -129.502
where: short stacking energy: -68.828
Base-Backbone interact. energy: 0.126
local terms energy: -108.640660
where:
bonds (distance) C4'-P energy: -26.935
bonds (distance) P-C4' energy: -31.705
flat angles C4'-P-C4' energy: -32.440
flat angles P-C4'-P energy: -16.327
tors. eta vs tors. theta energy: -1.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -232.590787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.590787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.590787 (E_RNA)
where:
Base-Base interactions energy: -121.133
where: short stacking energy: -60.797
Base-Backbone interact. energy: -0.396
local terms energy: -111.062403
where:
bonds (distance) C4'-P energy: -24.557
bonds (distance) P-C4' energy: -29.197
flat angles C4'-P-C4' energy: -35.012
flat angles P-C4'-P energy: -14.315
tors. eta vs tors. theta energy: -7.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -530.138204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.138204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.138204 (E_RNA)
where:
Base-Base interactions energy: -351.731
where: short stacking energy: -169.132
Base-Backbone interact. energy: -0.344
local terms energy: -178.063499
where:
bonds (distance) C4'-P energy: -34.505
bonds (distance) P-C4' energy: -36.829
flat angles C4'-P-C4' energy: -38.290
flat angles P-C4'-P energy: -26.047
tors. eta vs tors. theta energy: -42.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -456.923519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.923519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.923519 (E_RNA)
where:
Base-Base interactions energy: -311.360
where: short stacking energy: -135.119
Base-Backbone interact. energy: -1.060
local terms energy: -144.503143
where:
bonds (distance) C4'-P energy: -31.216
bonds (distance) P-C4' energy: -30.407
flat angles C4'-P-C4' energy: -31.550
flat angles P-C4'-P energy: -25.781
tors. eta vs tors. theta energy: -25.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -408.007926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.007926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.007926 (E_RNA)
where:
Base-Base interactions energy: -247.379
where: short stacking energy: -131.369
Base-Backbone interact. energy: -0.423
local terms energy: -160.206329
where:
bonds (distance) C4'-P energy: -28.167
bonds (distance) P-C4' energy: -35.767
flat angles C4'-P-C4' energy: -30.550
flat angles P-C4'-P energy: -29.720
tors. eta vs tors. theta energy: -36.003
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: 9
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -427.606786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.606786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.606786 (E_RNA)
where:
Base-Base interactions energy: -272.630
where: short stacking energy: -133.591
Base-Backbone interact. energy: -0.628
local terms energy: -154.349216
where:
bonds (distance) C4'-P energy: -34.886
bonds (distance) P-C4' energy: -37.377
flat angles C4'-P-C4' energy: -28.286
flat angles P-C4'-P energy: -25.614
tors. eta vs tors. theta energy: -28.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -408.257258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.257258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.257258 (E_RNA)
where:
Base-Base interactions energy: -271.427
where: short stacking energy: -128.516
Base-Backbone interact. energy: 1.249
local terms energy: -138.078804
where:
bonds (distance) C4'-P energy: -33.220
bonds (distance) P-C4' energy: -26.964
flat angles C4'-P-C4' energy: -32.517
flat angles P-C4'-P energy: -18.582
tors. eta vs tors. theta energy: -26.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -375.761797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.761797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.761797 (E_RNA)
where:
Base-Base interactions energy: -244.877
where: short stacking energy: -121.802
Base-Backbone interact. energy: -0.412
local terms energy: -130.472812
where:
bonds (distance) C4'-P energy: -31.440
bonds (distance) P-C4' energy: -23.484
flat angles C4'-P-C4' energy: -27.447
flat angles P-C4'-P energy: -19.074
tors. eta vs tors. theta energy: -29.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -279.664862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.664862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.664862 (E_RNA)
where:
Base-Base interactions energy: -150.628
where: short stacking energy: -95.865
Base-Backbone interact. energy: -1.186
local terms energy: -127.851414
where:
bonds (distance) C4'-P energy: -31.698
bonds (distance) P-C4' energy: -31.121
flat angles C4'-P-C4' energy: -27.328
flat angles P-C4'-P energy: -14.379
tors. eta vs tors. theta energy: -23.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -248.370398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.370398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.370398 (E_RNA)
where:
Base-Base interactions energy: -140.446
where: short stacking energy: -75.887
Base-Backbone interact. energy: 0.237
local terms energy: -108.161219
where:
bonds (distance) C4'-P energy: -23.241
bonds (distance) P-C4' energy: -22.117
flat angles C4'-P-C4' energy: -29.713
flat angles P-C4'-P energy: -13.934
tors. eta vs tors. theta energy: -19.156
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: 1
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -232.011051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.011051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.011051 (E_RNA)
where:
Base-Base interactions energy: -113.086
where: short stacking energy: -74.669
Base-Backbone interact. energy: 0.351
local terms energy: -119.276686
where:
bonds (distance) C4'-P energy: -29.106
bonds (distance) P-C4' energy: -33.945
flat angles C4'-P-C4' energy: -28.463
flat angles P-C4'-P energy: -21.140
tors. eta vs tors. theta energy: -6.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -202.950030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.950030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.950030 (E_RNA)
where:
Base-Base interactions energy: -101.902
where: short stacking energy: -47.855
Base-Backbone interact. energy: 1.454
local terms energy: -102.502033
where:
bonds (distance) C4'-P energy: -31.963
bonds (distance) P-C4' energy: -25.799
flat angles C4'-P-C4' energy: -26.031
flat angles P-C4'-P energy: -19.442
tors. eta vs tors. theta energy: 0.733
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: 4
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -533.003515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.003515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.003515 (E_RNA)
where:
Base-Base interactions energy: -366.677
where: short stacking energy: -173.280
Base-Backbone interact. energy: -0.599
local terms energy: -165.727131
where:
bonds (distance) C4'-P energy: -29.406
bonds (distance) P-C4' energy: -37.021
flat angles C4'-P-C4' energy: -39.484
flat angles P-C4'-P energy: -21.000
tors. eta vs tors. theta energy: -38.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -471.962760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.962760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.962760 (E_RNA)
where:
Base-Base interactions energy: -318.138
where: short stacking energy: -139.766
Base-Backbone interact. energy: 1.344
local terms energy: -155.168112
where:
bonds (distance) C4'-P energy: -26.735
bonds (distance) P-C4' energy: -40.902
flat angles C4'-P-C4' energy: -30.797
flat angles P-C4'-P energy: -22.582
tors. eta vs tors. theta energy: -34.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -396.971122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.971122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.971122 (E_RNA)
where:
Base-Base interactions energy: -237.696
where: short stacking energy: -126.202
Base-Backbone interact. energy: -1.032
local terms energy: -158.243044
where:
bonds (distance) C4'-P energy: -37.297
bonds (distance) P-C4' energy: -36.286
flat angles C4'-P-C4' energy: -30.077
flat angles P-C4'-P energy: -30.635
tors. eta vs tors. theta energy: -23.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -432.947216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.947216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.947216 (E_RNA)
where:
Base-Base interactions energy: -290.502
where: short stacking energy: -109.001
Base-Backbone interact. energy: 0.929
local terms energy: -143.374421
where:
bonds (distance) C4'-P energy: -33.951
bonds (distance) P-C4' energy: -36.145
flat angles C4'-P-C4' energy: -32.081
flat angles P-C4'-P energy: -19.200
tors. eta vs tors. theta energy: -21.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -401.548585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.548585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.548585 (E_RNA)
where:
Base-Base interactions energy: -260.251
where: short stacking energy: -119.766
Base-Backbone interact. energy: -0.750
local terms energy: -140.548149
where:
bonds (distance) C4'-P energy: -30.781
bonds (distance) P-C4' energy: -33.552
flat angles C4'-P-C4' energy: -32.252
flat angles P-C4'-P energy: -18.866
tors. eta vs tors. theta energy: -25.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -363.329291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.329291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.329291 (E_RNA)
where:
Base-Base interactions energy: -230.137
where: short stacking energy: -105.676
Base-Backbone interact. energy: -1.188
local terms energy: -132.004230
where:
bonds (distance) C4'-P energy: -20.615
bonds (distance) P-C4' energy: -40.153
flat angles C4'-P-C4' energy: -33.019
flat angles P-C4'-P energy: -23.332
tors. eta vs tors. theta energy: -14.885
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: 7, replica: 3
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -265.495188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.495188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.495188 (E_RNA)
where:
Base-Base interactions energy: -133.622
where: short stacking energy: -97.065
Base-Backbone interact. energy: -0.381
local terms energy: -131.492596
where:
bonds (distance) C4'-P energy: -24.598
bonds (distance) P-C4' energy: -29.743
flat angles C4'-P-C4' energy: -36.906
flat angles P-C4'-P energy: -20.724
tors. eta vs tors. theta energy: -19.522
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: 1
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -229.944059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.944059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.944059 (E_RNA)
where:
Base-Base interactions energy: -115.906
where: short stacking energy: -69.357
Base-Backbone interact. energy: -0.421
local terms energy: -113.617045
where:
bonds (distance) C4'-P energy: -30.939
bonds (distance) P-C4' energy: -34.496
flat angles C4'-P-C4' energy: -27.338
flat angles P-C4'-P energy: -11.909
tors. eta vs tors. theta energy: -8.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -247.399704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.399704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.399704 (E_RNA)
where:
Base-Base interactions energy: -131.706
where: short stacking energy: -76.860
Base-Backbone interact. energy: -1.309
local terms energy: -114.384989
where:
bonds (distance) C4'-P energy: -28.625
bonds (distance) P-C4' energy: -26.248
flat angles C4'-P-C4' energy: -24.520
flat angles P-C4'-P energy: -18.531
tors. eta vs tors. theta energy: -16.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -172.632181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.632181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.632181 (E_RNA)
where:
Base-Base interactions energy: -61.906
where: short stacking energy: -59.819
Base-Backbone interact. energy: -0.426
local terms energy: -110.300165
where:
bonds (distance) C4'-P energy: -22.058
bonds (distance) P-C4' energy: -25.365
flat angles C4'-P-C4' energy: -35.600
flat angles P-C4'-P energy: -19.670
tors. eta vs tors. theta energy: -7.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -528.965732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.965732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.965732 (E_RNA)
where:
Base-Base interactions energy: -379.009
where: short stacking energy: -173.857
Base-Backbone interact. energy: 1.710
local terms energy: -151.666627
where:
bonds (distance) C4'-P energy: -26.595
bonds (distance) P-C4' energy: -33.797
flat angles C4'-P-C4' energy: -35.648
flat angles P-C4'-P energy: -22.091
tors. eta vs tors. theta energy: -33.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -471.111754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.111754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.111754 (E_RNA)
where:
Base-Base interactions energy: -312.180
where: short stacking energy: -137.521
Base-Backbone interact. energy: -0.646
local terms energy: -158.286464
where:
bonds (distance) C4'-P energy: -31.011
bonds (distance) P-C4' energy: -37.459
flat angles C4'-P-C4' energy: -36.004
flat angles P-C4'-P energy: -23.115
tors. eta vs tors. theta energy: -30.697
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: 7
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -421.459325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.459325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.459325 (E_RNA)
where:
Base-Base interactions energy: -261.021
where: short stacking energy: -143.877
Base-Backbone interact. energy: -0.079
local terms energy: -160.358717
where:
bonds (distance) C4'-P energy: -31.471
bonds (distance) P-C4' energy: -26.748
flat angles C4'-P-C4' energy: -39.542
flat angles P-C4'-P energy: -20.591
tors. eta vs tors. theta energy: -42.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -426.691399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.691399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.691399 (E_RNA)
where:
Base-Base interactions energy: -279.706
where: short stacking energy: -124.194
Base-Backbone interact. energy: -1.417
local terms energy: -145.568594
where:
bonds (distance) C4'-P energy: -31.354
bonds (distance) P-C4' energy: -27.196
flat angles C4'-P-C4' energy: -35.694
flat angles P-C4'-P energy: -19.439
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: 5, replica: 8
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -347.628669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.628669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.628669 (E_RNA)
where:
Base-Base interactions energy: -210.721
where: short stacking energy: -113.583
Base-Backbone interact. energy: 0.123
local terms energy: -137.031048
where:
bonds (distance) C4'-P energy: -30.430
bonds (distance) P-C4' energy: -35.645
flat angles C4'-P-C4' energy: -29.569
flat angles P-C4'-P energy: -17.428
tors. eta vs tors. theta energy: -23.959
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: 2
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -346.811850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.811850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.811850 (E_RNA)
where:
Base-Base interactions energy: -196.473
where: short stacking energy: -99.262
Base-Backbone interact. energy: -0.336
local terms energy: -150.002780
where:
bonds (distance) C4'-P energy: -39.558
bonds (distance) P-C4' energy: -35.959
flat angles C4'-P-C4' energy: -25.202
flat angles P-C4'-P energy: -25.676
tors. eta vs tors. theta energy: -23.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -269.021838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.021838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.021838 (E_RNA)
where:
Base-Base interactions energy: -144.770
where: short stacking energy: -90.879
Base-Backbone interact. energy: 0.566
local terms energy: -124.817547
where:
bonds (distance) C4'-P energy: -35.944
bonds (distance) P-C4' energy: -30.257
flat angles C4'-P-C4' energy: -31.665
flat angles P-C4'-P energy: -15.356
tors. eta vs tors. theta energy: -11.596
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: 1
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -262.579534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.579534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.579534 (E_RNA)
where:
Base-Base interactions energy: -136.679
where: short stacking energy: -92.236
Base-Backbone interact. energy: -0.308
local terms energy: -125.592999
where:
bonds (distance) C4'-P energy: -26.052
bonds (distance) P-C4' energy: -26.005
flat angles C4'-P-C4' energy: -29.533
flat angles P-C4'-P energy: -19.331
tors. eta vs tors. theta energy: -24.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -229.297413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.297413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.297413 (E_RNA)
where:
Base-Base interactions energy: -124.397
where: short stacking energy: -73.995
Base-Backbone interact. energy: -0.477
local terms energy: -104.423267
where:
bonds (distance) C4'-P energy: -15.396
bonds (distance) P-C4' energy: -29.681
flat angles C4'-P-C4' energy: -31.793
flat angles P-C4'-P energy: -20.197
tors. eta vs tors. theta energy: -7.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -162.775053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.775053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.775053 (E_RNA)
where:
Base-Base interactions energy: -65.563
where: short stacking energy: -47.156
Base-Backbone interact. energy: -0.390
local terms energy: -96.821709
where:
bonds (distance) C4'-P energy: -35.954
bonds (distance) P-C4' energy: -28.895
flat angles C4'-P-C4' energy: -23.705
flat angles P-C4'-P energy: -5.701
tors. eta vs tors. theta energy: -2.566
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: 1, replica: 4
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -543.198838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.198838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.198838 (E_RNA)
where:
Base-Base interactions energy: -365.622
where: short stacking energy: -169.563
Base-Backbone interact. energy: 1.357
local terms energy: -178.933316
where:
bonds (distance) C4'-P energy: -36.075
bonds (distance) P-C4' energy: -39.543
flat angles C4'-P-C4' energy: -40.127
flat angles P-C4'-P energy: -24.129
tors. eta vs tors. theta energy: -39.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -485.321827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.321827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.321827 (E_RNA)
where:
Base-Base interactions energy: -331.848
where: short stacking energy: -131.240
Base-Backbone interact. energy: 7.920
local terms energy: -161.393403
where:
bonds (distance) C4'-P energy: -29.697
bonds (distance) P-C4' energy: -36.445
flat angles C4'-P-C4' energy: -35.140
flat angles P-C4'-P energy: -27.892
tors. eta vs tors. theta energy: -32.220
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: 7
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -406.639875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.639875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.639875 (E_RNA)
where:
Base-Base interactions energy: -248.512
where: short stacking energy: -141.668
Base-Backbone interact. energy: -0.056
local terms energy: -158.072130
where:
bonds (distance) C4'-P energy: -29.990
bonds (distance) P-C4' energy: -37.710
flat angles C4'-P-C4' energy: -35.485
flat angles P-C4'-P energy: -21.090
tors. eta vs tors. theta energy: -33.797
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: 9
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -425.703517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.703517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.703517 (E_RNA)
where:
Base-Base interactions energy: -282.822
where: short stacking energy: -128.872
Base-Backbone interact. energy: -1.194
local terms energy: -141.687578
where:
bonds (distance) C4'-P energy: -27.608
bonds (distance) P-C4' energy: -29.049
flat angles C4'-P-C4' energy: -29.626
flat angles P-C4'-P energy: -25.663
tors. eta vs tors. theta energy: -29.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -373.411821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.411821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.411821 (E_RNA)
where:
Base-Base interactions energy: -228.183
where: short stacking energy: -113.845
Base-Backbone interact. energy: -0.476
local terms energy: -144.752092
where:
bonds (distance) C4'-P energy: -31.057
bonds (distance) P-C4' energy: -37.160
flat angles C4'-P-C4' energy: -31.476
flat angles P-C4'-P energy: -21.428
tors. eta vs tors. theta energy: -23.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -348.570021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.570021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.570021 (E_RNA)
where:
Base-Base interactions energy: -207.673
where: short stacking energy: -102.401
Base-Backbone interact. energy: -1.088
local terms energy: -139.808935
where:
bonds (distance) C4'-P energy: -33.476
bonds (distance) P-C4' energy: -39.392
flat angles C4'-P-C4' energy: -31.487
flat angles P-C4'-P energy: -18.964
tors. eta vs tors. theta energy: -16.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -272.666797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.666797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.666797 (E_RNA)
where:
Base-Base interactions energy: -140.621
where: short stacking energy: -76.921
Base-Backbone interact. energy: -0.407
local terms energy: -131.638448
where:
bonds (distance) C4'-P energy: -31.507
bonds (distance) P-C4' energy: -30.992
flat angles C4'-P-C4' energy: -31.882
flat angles P-C4'-P energy: -21.420
tors. eta vs tors. theta energy: -15.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -247.572788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.572788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.572788 (E_RNA)
where:
Base-Base interactions energy: -142.468
where: short stacking energy: -86.920
Base-Backbone interact. energy: -0.493
local terms energy: -104.611288
where:
bonds (distance) C4'-P energy: -22.587
bonds (distance) P-C4' energy: -28.224
flat angles C4'-P-C4' energy: -23.468
flat angles P-C4'-P energy: -17.574
tors. eta vs tors. theta energy: -12.758
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: 9, replica: 5
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -223.852581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.852581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.852581 (E_RNA)
where:
Base-Base interactions energy: -124.353
where: short stacking energy: -74.576
Base-Backbone interact. energy: -0.545
local terms energy: -98.954472
where:
bonds (distance) C4'-P energy: -25.569
bonds (distance) P-C4' energy: -29.287
flat angles C4'-P-C4' energy: -22.443
flat angles P-C4'-P energy: -10.182
tors. eta vs tors. theta energy: -11.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -163.769601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.769601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.769601 (E_RNA)
where:
Base-Base interactions energy: -68.567
where: short stacking energy: -53.695
Base-Backbone interact. energy: -1.253
local terms energy: -93.949085
where:
bonds (distance) C4'-P energy: -34.211
bonds (distance) P-C4' energy: -28.705
flat angles C4'-P-C4' energy: -26.598
flat angles P-C4'-P energy: -9.695
tors. eta vs tors. theta energy: 5.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -553.240972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.240972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.240972 (E_RNA)
where:
Base-Base interactions energy: -378.964
where: short stacking energy: -165.651
Base-Backbone interact. energy: -0.309
local terms energy: -173.967661
where:
bonds (distance) C4'-P energy: -34.970
bonds (distance) P-C4' energy: -35.674
flat angles C4'-P-C4' energy: -37.012
flat angles P-C4'-P energy: -25.486
tors. eta vs tors. theta energy: -40.825
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: 2, replica: 6
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -506.102205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.102205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.102205 (E_RNA)
where:
Base-Base interactions energy: -336.459
where: short stacking energy: -160.625
Base-Backbone interact. energy: -0.849
local terms energy: -168.794654
where:
bonds (distance) C4'-P energy: -25.642
bonds (distance) P-C4' energy: -40.155
flat angles C4'-P-C4' energy: -36.757
flat angles P-C4'-P energy: -25.347
tors. eta vs tors. theta energy: -40.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -399.358011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.358011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.358011 (E_RNA)
where:
Base-Base interactions energy: -243.351
where: short stacking energy: -132.775
Base-Backbone interact. energy: -0.172
local terms energy: -155.834925
where:
bonds (distance) C4'-P energy: -33.050
bonds (distance) P-C4' energy: -36.602
flat angles C4'-P-C4' energy: -28.008
flat angles P-C4'-P energy: -22.584
tors. eta vs tors. theta energy: -35.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -429.747958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.747958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.747958 (E_RNA)
where:
Base-Base interactions energy: -272.638
where: short stacking energy: -142.847
Base-Backbone interact. energy: 1.159
local terms energy: -158.268772
where:
bonds (distance) C4'-P energy: -31.314
bonds (distance) P-C4' energy: -29.070
flat angles C4'-P-C4' energy: -36.828
flat angles P-C4'-P energy: -19.993
tors. eta vs tors. theta energy: -41.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -385.986536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.986536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.986536 (E_RNA)
where:
Base-Base interactions energy: -230.709
where: short stacking energy: -118.597
Base-Backbone interact. energy: 0.237
local terms energy: -155.514848
where:
bonds (distance) C4'-P energy: -33.557
bonds (distance) P-C4' energy: -37.036
flat angles C4'-P-C4' energy: -28.066
flat angles P-C4'-P energy: -25.540
tors. eta vs tors. theta energy: -31.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -339.927429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.927429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.927429 (E_RNA)
where:
Base-Base interactions energy: -208.026
where: short stacking energy: -107.431
Base-Backbone interact. energy: -0.981
local terms energy: -130.920920
where:
bonds (distance) C4'-P energy: -27.618
bonds (distance) P-C4' energy: -32.677
flat angles C4'-P-C4' energy: -34.369
flat angles P-C4'-P energy: -14.578
tors. eta vs tors. theta energy: -21.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -273.476036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.476036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.476036 (E_RNA)
where:
Base-Base interactions energy: -151.006
where: short stacking energy: -102.297
Base-Backbone interact. energy: -0.335
local terms energy: -122.135085
where:
bonds (distance) C4'-P energy: -31.776
bonds (distance) P-C4' energy: -33.123
flat angles C4'-P-C4' energy: -23.888
flat angles P-C4'-P energy: -17.425
tors. eta vs tors. theta energy: -15.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -244.125071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.125071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.125071 (E_RNA)
where:
Base-Base interactions energy: -115.812
where: short stacking energy: -67.744
Base-Backbone interact. energy: -0.256
local terms energy: -128.057415
where:
bonds (distance) C4'-P energy: -33.976
bonds (distance) P-C4' energy: -32.160
flat angles C4'-P-C4' energy: -29.678
flat angles P-C4'-P energy: -25.901
tors. eta vs tors. theta energy: -6.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -229.207118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.207118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.207118 (E_RNA)
where:
Base-Base interactions energy: -132.565
where: short stacking energy: -77.383
Base-Backbone interact. energy: -0.412
local terms energy: -96.229754
where:
bonds (distance) C4'-P energy: -25.297
bonds (distance) P-C4' energy: -29.224
flat angles C4'-P-C4' energy: -27.532
flat angles P-C4'-P energy: -12.915
tors. eta vs tors. theta energy: -1.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -165.254523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.254523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.254523 (E_RNA)
where:
Base-Base interactions energy: -74.917
where: short stacking energy: -59.869
Base-Backbone interact. energy: -0.317
local terms energy: -90.019805
where:
bonds (distance) C4'-P energy: -17.354
bonds (distance) P-C4' energy: -28.136
flat angles C4'-P-C4' energy: -23.923
flat angles P-C4'-P energy: -16.765
tors. eta vs tors. theta energy: -3.842
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: 1, replica: 4
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -536.414091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.414091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.414091 (E_RNA)
where:
Base-Base interactions energy: -362.891
where: short stacking energy: -169.188
Base-Backbone interact. energy: 1.147
local terms energy: -174.670483
where:
bonds (distance) C4'-P energy: -38.177
bonds (distance) P-C4' energy: -41.160
flat angles C4'-P-C4' energy: -38.876
flat angles P-C4'-P energy: -17.276
tors. eta vs tors. theta energy: -39.181
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: 6
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -511.830051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.830051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.830051 (E_RNA)
where:
Base-Base interactions energy: -351.775
where: short stacking energy: -164.605
Base-Backbone interact. energy: -1.111
local terms energy: -158.944333
where:
bonds (distance) C4'-P energy: -32.333
bonds (distance) P-C4' energy: -32.230
flat angles C4'-P-C4' energy: -33.007
flat angles P-C4'-P energy: -23.378
tors. eta vs tors. theta energy: -37.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -411.420529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.420529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.420529 (E_RNA)
where:
Base-Base interactions energy: -261.006
where: short stacking energy: -138.267
Base-Backbone interact. energy: -0.557
local terms energy: -149.857906
where:
bonds (distance) C4'-P energy: -27.543
bonds (distance) P-C4' energy: -31.194
flat angles C4'-P-C4' energy: -32.901
flat angles P-C4'-P energy: -25.827
tors. eta vs tors. theta energy: -32.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -467.236681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.236681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.236681 (E_RNA)
where:
Base-Base interactions energy: -305.094
where: short stacking energy: -147.357
Base-Backbone interact. energy: 1.435
local terms energy: -163.577622
where:
bonds (distance) C4'-P energy: -32.044
bonds (distance) P-C4' energy: -38.675
flat angles C4'-P-C4' energy: -29.252
flat angles P-C4'-P energy: -22.035
tors. eta vs tors. theta energy: -41.571
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: 31
Temperature: 1.100000
Total energy: -385.820554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.820554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.820554 (E_RNA)
where:
Base-Base interactions energy: -250.021
where: short stacking energy: -103.108
Base-Backbone interact. energy: 2.267
local terms energy: -138.067059
where:
bonds (distance) C4'-P energy: -37.004
bonds (distance) P-C4' energy: -30.909
flat angles C4'-P-C4' energy: -26.950
flat angles P-C4'-P energy: -18.525
tors. eta vs tors. theta energy: -24.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -362.885223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.885223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.885223 (E_RNA)
where:
Base-Base interactions energy: -228.625
where: short stacking energy: -110.651
Base-Backbone interact. energy: 0.850
local terms energy: -135.109621
where:
bonds (distance) C4'-P energy: -26.320
bonds (distance) P-C4' energy: -31.569
flat angles C4'-P-C4' energy: -31.509
flat angles P-C4'-P energy: -25.810
tors. eta vs tors. theta energy: -19.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -259.371069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.371069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.371069 (E_RNA)
where:
Base-Base interactions energy: -147.434
where: short stacking energy: -101.078
Base-Backbone interact. energy: -0.010
local terms energy: -111.926921
where:
bonds (distance) C4'-P energy: -25.206
bonds (distance) P-C4' energy: -28.298
flat angles C4'-P-C4' energy: -31.250
flat angles P-C4'-P energy: -8.253
tors. eta vs tors. theta energy: -18.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -246.393981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.393981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.393981 (E_RNA)
where:
Base-Base interactions energy: -131.370
where: short stacking energy: -84.902
Base-Backbone interact. energy: 0.370
local terms energy: -115.394172
where:
bonds (distance) C4'-P energy: -32.861
bonds (distance) P-C4' energy: -22.518
flat angles C4'-P-C4' energy: -29.353
flat angles P-C4'-P energy: -16.188
tors. eta vs tors. theta energy: -14.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -224.616678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.616678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.616678 (E_RNA)
where:
Base-Base interactions energy: -121.742
where: short stacking energy: -78.683
Base-Backbone interact. energy: 0.264
local terms energy: -103.139180
where:
bonds (distance) C4'-P energy: -23.468
bonds (distance) P-C4' energy: -29.446
flat angles C4'-P-C4' energy: -22.081
flat angles P-C4'-P energy: -16.894
tors. eta vs tors. theta energy: -11.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -169.700602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.700602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.700602 (E_RNA)
where:
Base-Base interactions energy: -69.538
where: short stacking energy: -46.957
Base-Backbone interact. energy: -0.400
local terms energy: -99.762881
where:
bonds (distance) C4'-P energy: -26.008
bonds (distance) P-C4' energy: -21.795
flat angles C4'-P-C4' energy: -31.241
flat angles P-C4'-P energy: -17.200
tors. eta vs tors. theta energy: -3.518
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: 4
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -530.775455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.775455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.775455 (E_RNA)
where:
Base-Base interactions energy: -360.942
where: short stacking energy: -154.734
Base-Backbone interact. energy: -0.347
local terms energy: -169.486707
where:
bonds (distance) C4'-P energy: -35.727
bonds (distance) P-C4' energy: -29.417
flat angles C4'-P-C4' energy: -41.830
flat angles P-C4'-P energy: -27.118
tors. eta vs tors. theta energy: -35.396
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: 6
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -512.581533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.581533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.581533 (E_RNA)
where:
Base-Base interactions energy: -343.138
where: short stacking energy: -162.622
Base-Backbone interact. energy: -2.250
local terms energy: -167.193084
where:
bonds (distance) C4'-P energy: -29.508
bonds (distance) P-C4' energy: -38.379
flat angles C4'-P-C4' energy: -35.970
flat angles P-C4'-P energy: -25.325
tors. eta vs tors. theta energy: -38.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -477.300515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.300515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.300515 (E_RNA)
where:
Base-Base interactions energy: -305.913
where: short stacking energy: -160.573
Base-Backbone interact. energy: -0.404
local terms energy: -170.984020
where:
bonds (distance) C4'-P energy: -37.923
bonds (distance) P-C4' energy: -38.343
flat angles C4'-P-C4' energy: -31.000
flat angles P-C4'-P energy: -20.060
tors. eta vs tors. theta energy: -43.658
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: 7
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -402.594825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.594825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.594825 (E_RNA)
where:
Base-Base interactions energy: -244.159
where: short stacking energy: -135.772
Base-Backbone interact. energy: -0.106
local terms energy: -158.330307
where:
bonds (distance) C4'-P energy: -29.044
bonds (distance) P-C4' energy: -38.228
flat angles C4'-P-C4' energy: -32.182
flat angles P-C4'-P energy: -24.278
tors. eta vs tors. theta energy: -34.598
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: 2
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -409.188140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.188140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.188140 (E_RNA)
where:
Base-Base interactions energy: -271.888
where: short stacking energy: -116.751
Base-Backbone interact. energy: 0.050
local terms energy: -137.350166
where:
bonds (distance) C4'-P energy: -24.745
bonds (distance) P-C4' energy: -35.774
flat angles C4'-P-C4' energy: -24.910
flat angles P-C4'-P energy: -23.558
tors. eta vs tors. theta energy: -28.364
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: 32
Temperature: 1.150000
Total energy: -363.396657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.396657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.396657 (E_RNA)
where:
Base-Base interactions energy: -238.807
where: short stacking energy: -99.183
Base-Backbone interact. energy: -0.130
local terms energy: -124.459399
where:
bonds (distance) C4'-P energy: -25.804
bonds (distance) P-C4' energy: -32.919
flat angles C4'-P-C4' energy: -33.370
flat angles P-C4'-P energy: -20.143
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: 7, replica: 5
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -289.818676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.818676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.818676 (E_RNA)
where:
Base-Base interactions energy: -154.238
where: short stacking energy: -109.183
Base-Backbone interact. energy: 1.452
local terms energy: -137.032957
where:
bonds (distance) C4'-P energy: -30.981
bonds (distance) P-C4' energy: -30.242
flat angles C4'-P-C4' energy: -30.595
flat angles P-C4'-P energy: -18.737
tors. eta vs tors. theta energy: -26.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -256.026277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.026277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.026277 (E_RNA)
where:
Base-Base interactions energy: -132.394
where: short stacking energy: -76.086
Base-Backbone interact. energy: 0.879
local terms energy: -124.511856
where:
bonds (distance) C4'-P energy: -32.971
bonds (distance) P-C4' energy: -33.082
flat angles C4'-P-C4' energy: -26.281
flat angles P-C4'-P energy: -22.028
tors. eta vs tors. theta energy: -10.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -243.880323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.880323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.880323 (E_RNA)
where:
Base-Base interactions energy: -131.084
where: short stacking energy: -75.621
Base-Backbone interact. energy: -0.358
local terms energy: -112.438814
where:
bonds (distance) C4'-P energy: -32.767
bonds (distance) P-C4' energy: -35.660
flat angles C4'-P-C4' energy: -15.323
flat angles P-C4'-P energy: -16.883
tors. eta vs tors. theta energy: -11.805
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: 10, replica: 10
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -243.929892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.929892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.929892 (E_RNA)
where:
Base-Base interactions energy: -139.393
where: short stacking energy: -85.384
Base-Backbone interact. energy: 0.852
local terms energy: -105.388541
where:
bonds (distance) C4'-P energy: -26.880
bonds (distance) P-C4' energy: -32.849
flat angles C4'-P-C4' energy: -20.549
flat angles P-C4'-P energy: -18.918
tors. eta vs tors. theta energy: -6.192
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: 4
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -525.369725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.369725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.369725 (E_RNA)
where:
Base-Base interactions energy: -363.612
where: short stacking energy: -160.220
Base-Backbone interact. energy: -0.180
local terms energy: -161.578354
where:
bonds (distance) C4'-P energy: -30.561
bonds (distance) P-C4' energy: -38.492
flat angles C4'-P-C4' energy: -32.575
flat angles P-C4'-P energy: -24.723
tors. eta vs tors. theta energy: -35.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -507.215643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.215643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.215643 (E_RNA)
where:
Base-Base interactions energy: -343.514
where: short stacking energy: -142.254
Base-Backbone interact. energy: -1.640
local terms energy: -162.061475
where:
bonds (distance) C4'-P energy: -32.311
bonds (distance) P-C4' energy: -34.089
flat angles C4'-P-C4' energy: -38.469
flat angles P-C4'-P energy: -21.794
tors. eta vs tors. theta energy: -35.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -472.736576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.736576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.736576 (E_RNA)
where:
Base-Base interactions energy: -314.115
where: short stacking energy: -131.632
Base-Backbone interact. energy: -0.756
local terms energy: -157.865036
where:
bonds (distance) C4'-P energy: -30.332
bonds (distance) P-C4' energy: -32.558
flat angles C4'-P-C4' energy: -36.877
flat angles P-C4'-P energy: -27.664
tors. eta vs tors. theta energy: -30.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -411.728273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.728273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.728273 (E_RNA)
where:
Base-Base interactions energy: -260.384
where: short stacking energy: -130.390
Base-Backbone interact. energy: -0.328
local terms energy: -151.016605
where:
bonds (distance) C4'-P energy: -30.577
bonds (distance) P-C4' energy: -31.164
flat angles C4'-P-C4' energy: -35.550
flat angles P-C4'-P energy: -21.133
tors. eta vs tors. theta energy: -32.593
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: 7
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -389.052898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.052898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.052898 (E_RNA)
where:
Base-Base interactions energy: -242.141
where: short stacking energy: -113.348
Base-Backbone interact. energy: -0.981
local terms energy: -145.930439
where:
bonds (distance) C4'-P energy: -30.506
bonds (distance) P-C4' energy: -33.491
flat angles C4'-P-C4' energy: -28.230
flat angles P-C4'-P energy: -22.400
tors. eta vs tors. theta energy: -31.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -356.137048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.137048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.137048 (E_RNA)
where:
Base-Base interactions energy: -227.972
where: short stacking energy: -128.490
Base-Backbone interact. energy: -0.160
local terms energy: -128.004442
where:
bonds (distance) C4'-P energy: -22.803
bonds (distance) P-C4' energy: -25.097
flat angles C4'-P-C4' energy: -34.307
flat angles P-C4'-P energy: -20.192
tors. eta vs tors. theta energy: -25.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -258.699762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.699762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.699762 (E_RNA)
where:
Base-Base interactions energy: -133.717
where: short stacking energy: -65.919
Base-Backbone interact. energy: 3.323
local terms energy: -128.306243
where:
bonds (distance) C4'-P energy: -37.197
bonds (distance) P-C4' energy: -29.608
flat angles C4'-P-C4' energy: -29.172
flat angles P-C4'-P energy: -23.420
tors. eta vs tors. theta energy: -8.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -248.407012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.407012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.407012 (E_RNA)
where:
Base-Base interactions energy: -124.524
where: short stacking energy: -79.811
Base-Backbone interact. energy: -0.441
local terms energy: -123.441823
where:
bonds (distance) C4'-P energy: -34.787
bonds (distance) P-C4' energy: -35.721
flat angles C4'-P-C4' energy: -24.438
flat angles P-C4'-P energy: -18.666
tors. eta vs tors. theta energy: -9.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -234.056038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.056038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.056038 (E_RNA)
where:
Base-Base interactions energy: -125.128
where: short stacking energy: -77.571
Base-Backbone interact. energy: -0.785
local terms energy: -108.142609
where:
bonds (distance) C4'-P energy: -26.386
bonds (distance) P-C4' energy: -26.073
flat angles C4'-P-C4' energy: -31.515
flat angles P-C4'-P energy: -19.421
tors. eta vs tors. theta energy: -4.749
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: 10
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -232.262198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.262198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.262198 (E_RNA)
where:
Base-Base interactions energy: -125.696
where: short stacking energy: -74.767
Base-Backbone interact. energy: -0.697
local terms energy: -105.869351
where:
bonds (distance) C4'-P energy: -29.864
bonds (distance) P-C4' energy: -25.306
flat angles C4'-P-C4' energy: -33.145
flat angles P-C4'-P energy: -14.796
tors. eta vs tors. theta energy: -2.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -527.495351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.495351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.495351 (E_RNA)
where:
Base-Base interactions energy: -363.817
where: short stacking energy: -172.334
Base-Backbone interact. energy: 0.744
local terms energy: -164.422622
where:
bonds (distance) C4'-P energy: -28.783
bonds (distance) P-C4' energy: -38.130
flat angles C4'-P-C4' energy: -33.552
flat angles P-C4'-P energy: -25.488
tors. eta vs tors. theta energy: -38.469
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: 6
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -535.090790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.090790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.090790 (E_RNA)
where:
Base-Base interactions energy: -368.481
where: short stacking energy: -165.424
Base-Backbone interact. energy: -1.256
local terms energy: -165.354298
where:
bonds (distance) C4'-P energy: -39.007
bonds (distance) P-C4' energy: -28.756
flat angles C4'-P-C4' energy: -39.236
flat angles P-C4'-P energy: -22.194
tors. eta vs tors. theta energy: -36.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -478.129729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.129729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.129729 (E_RNA)
where:
Base-Base interactions energy: -306.640
where: short stacking energy: -144.253
Base-Backbone interact. energy: -0.814
local terms energy: -170.675879
where:
bonds (distance) C4'-P energy: -32.358
bonds (distance) P-C4' energy: -38.136
flat angles C4'-P-C4' energy: -37.603
flat angles P-C4'-P energy: -25.424
tors. eta vs tors. theta energy: -37.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -412.089063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.089063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.089063 (E_RNA)
where:
Base-Base interactions energy: -258.625
where: short stacking energy: -144.555
Base-Backbone interact. energy: -0.777
local terms energy: -152.687323
where:
bonds (distance) C4'-P energy: -30.791
bonds (distance) P-C4' energy: -33.533
flat angles C4'-P-C4' energy: -37.670
flat angles P-C4'-P energy: -19.730
tors. eta vs tors. theta energy: -30.963
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: 34
Temperature: 1.100000
Total energy: -396.858668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.858668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.858668 (E_RNA)
where:
Base-Base interactions energy: -244.325
where: short stacking energy: -125.166
Base-Backbone interact. energy: -0.107
local terms energy: -152.427002
where:
bonds (distance) C4'-P energy: -32.058
bonds (distance) P-C4' energy: -34.853
flat angles C4'-P-C4' energy: -32.978
flat angles P-C4'-P energy: -22.984
tors. eta vs tors. theta energy: -29.554
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: 34
Temperature: 1.150000
Total energy: -337.687048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.687048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.687048 (E_RNA)
where:
Base-Base interactions energy: -213.647
where: short stacking energy: -98.468
Base-Backbone interact. energy: -0.037
local terms energy: -124.002823
where:
bonds (distance) C4'-P energy: -30.610
bonds (distance) P-C4' energy: -32.542
flat angles C4'-P-C4' energy: -26.923
flat angles P-C4'-P energy: -21.392
tors. eta vs tors. theta energy: -12.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -270.318497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.318497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.318497 (E_RNA)
where:
Base-Base interactions energy: -141.445
where: short stacking energy: -93.410
Base-Backbone interact. energy: 0.015
local terms energy: -128.887891
where:
bonds (distance) C4'-P energy: -32.785
bonds (distance) P-C4' energy: -29.867
flat angles C4'-P-C4' energy: -28.291
flat angles P-C4'-P energy: -23.232
tors. eta vs tors. theta energy: -14.713
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: 5
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -243.324711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.324711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.324711 (E_RNA)
where:
Base-Base interactions energy: -118.376
where: short stacking energy: -82.096
Base-Backbone interact. energy: -0.228
local terms energy: -124.720597
where:
bonds (distance) C4'-P energy: -29.695
bonds (distance) P-C4' energy: -38.223
flat angles C4'-P-C4' energy: -29.693
flat angles P-C4'-P energy: -21.265
tors. eta vs tors. theta energy: -5.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -244.779718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.779718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.779718 (E_RNA)
where:
Base-Base interactions energy: -132.204
where: short stacking energy: -86.821
Base-Backbone interact. energy: -0.791
local terms energy: -111.785207
where:
bonds (distance) C4'-P energy: -21.886
bonds (distance) P-C4' energy: -32.077
flat angles C4'-P-C4' energy: -24.093
flat angles P-C4'-P energy: -21.150
tors. eta vs tors. theta energy: -12.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -209.129837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.129837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.129837 (E_RNA)
where:
Base-Base interactions energy: -100.858
where: short stacking energy: -52.216
Base-Backbone interact. energy: -0.625
local terms energy: -107.646578
where:
bonds (distance) C4'-P energy: -26.308
bonds (distance) P-C4' energy: -31.866
flat angles C4'-P-C4' energy: -26.556
flat angles P-C4'-P energy: -15.700
tors. eta vs tors. theta energy: -7.216
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: 4
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -548.773951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.773951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.773951 (E_RNA)
where:
Base-Base interactions energy: -369.517
where: short stacking energy: -160.736
Base-Backbone interact. energy: -0.331
local terms energy: -178.925374
where:
bonds (distance) C4'-P energy: -35.227
bonds (distance) P-C4' energy: -39.514
flat angles C4'-P-C4' energy: -36.341
flat angles P-C4'-P energy: -30.014
tors. eta vs tors. theta energy: -37.830
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: 6
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -521.425295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.425295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.425295 (E_RNA)
where:
Base-Base interactions energy: -370.113
where: short stacking energy: -164.329
Base-Backbone interact. energy: 0.199
local terms energy: -151.511427
where:
bonds (distance) C4'-P energy: -31.091
bonds (distance) P-C4' energy: -26.529
flat angles C4'-P-C4' energy: -34.911
flat angles P-C4'-P energy: -19.467
tors. eta vs tors. theta energy: -39.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -487.064971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.064971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.064971 (E_RNA)
where:
Base-Base interactions energy: -323.214
where: short stacking energy: -152.986
Base-Backbone interact. energy: 0.447
local terms energy: -164.298374
where:
bonds (distance) C4'-P energy: -37.151
bonds (distance) P-C4' energy: -25.677
flat angles C4'-P-C4' energy: -31.308
flat angles P-C4'-P energy: -27.562
tors. eta vs tors. theta energy: -42.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -399.645507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.645507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.645507 (E_RNA)
where:
Base-Base interactions energy: -252.537
where: short stacking energy: -126.316
Base-Backbone interact. energy: 0.484
local terms energy: -147.592636
where:
bonds (distance) C4'-P energy: -29.914
bonds (distance) P-C4' energy: -29.963
flat angles C4'-P-C4' energy: -36.146
flat angles P-C4'-P energy: -20.387
tors. eta vs tors. theta energy: -31.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -388.759101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.759101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.759101 (E_RNA)
where:
Base-Base interactions energy: -249.615
where: short stacking energy: -120.216
Base-Backbone interact. energy: 1.266
local terms energy: -140.409995
where:
bonds (distance) C4'-P energy: -31.017
bonds (distance) P-C4' energy: -33.869
flat angles C4'-P-C4' energy: -37.509
flat angles P-C4'-P energy: -16.996
tors. eta vs tors. theta energy: -21.019
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: 6, replica: 8
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -336.385844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.385844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.385844 (E_RNA)
where:
Base-Base interactions energy: -208.652
where: short stacking energy: -113.695
Base-Backbone interact. energy: -0.351
local terms energy: -127.382270
where:
bonds (distance) C4'-P energy: -28.665
bonds (distance) P-C4' energy: -31.962
flat angles C4'-P-C4' energy: -30.859
flat angles P-C4'-P energy: -14.546
tors. eta vs tors. theta energy: -21.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -266.827514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.827514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.827514 (E_RNA)
where:
Base-Base interactions energy: -149.591
where: short stacking energy: -83.240
Base-Backbone interact. energy: 0.091
local terms energy: -117.327451
where:
bonds (distance) C4'-P energy: -25.125
bonds (distance) P-C4' energy: -27.082
flat angles C4'-P-C4' energy: -33.073
flat angles P-C4'-P energy: -14.730
tors. eta vs tors. theta energy: -17.318
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: 35
Temperature: 1.250000
Total energy: -253.204665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.204665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.204665 (E_RNA)
where:
Base-Base interactions energy: -136.754
where: short stacking energy: -89.416
Base-Backbone interact. energy: -0.200
local terms energy: -116.250583
where:
bonds (distance) C4'-P energy: -24.774
bonds (distance) P-C4' energy: -28.253
flat angles C4'-P-C4' energy: -30.527
flat angles P-C4'-P energy: -12.854
tors. eta vs tors. theta energy: -19.842
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: 5
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -217.271290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.271290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.271290 (E_RNA)
where:
Base-Base interactions energy: -108.629
where: short stacking energy: -65.419
Base-Backbone interact. energy: -0.615
local terms energy: -108.027323
where:
bonds (distance) C4'-P energy: -23.387
bonds (distance) P-C4' energy: -35.579
flat angles C4'-P-C4' energy: -28.709
flat angles P-C4'-P energy: -13.706
tors. eta vs tors. theta energy: -6.645
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: 35
Temperature: 1.350000
Total energy: -229.662608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.662608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.662608 (E_RNA)
where:
Base-Base interactions energy: -128.012
where: short stacking energy: -67.809
Base-Backbone interact. energy: 1.246
local terms energy: -102.896588
where:
bonds (distance) C4'-P energy: -31.259
bonds (distance) P-C4' energy: -34.805
flat angles C4'-P-C4' energy: -21.086
flat angles P-C4'-P energy: -11.013
tors. eta vs tors. theta energy: -4.734
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: 6
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -533.322715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.322715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.322715 (E_RNA)
where:
Base-Base interactions energy: -369.491
where: short stacking energy: -164.658
Base-Backbone interact. energy: -0.766
local terms energy: -163.065312
where:
bonds (distance) C4'-P energy: -36.589
bonds (distance) P-C4' energy: -31.320
flat angles C4'-P-C4' energy: -29.212
flat angles P-C4'-P energy: -20.988
tors. eta vs tors. theta energy: -44.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -533.513674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.513674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.513674 (E_RNA)
where:
Base-Base interactions energy: -368.668
where: short stacking energy: -176.752
Base-Backbone interact. energy: -0.445
local terms energy: -164.400720
where:
bonds (distance) C4'-P energy: -38.054
bonds (distance) P-C4' energy: -31.059
flat angles C4'-P-C4' energy: -32.449
flat angles P-C4'-P energy: -22.574
tors. eta vs tors. theta energy: -40.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -495.610420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.610420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.610420 (E_RNA)
where:
Base-Base interactions energy: -333.718
where: short stacking energy: -149.807
Base-Backbone interact. energy: 0.197
local terms energy: -162.089428
where:
bonds (distance) C4'-P energy: -27.300
bonds (distance) P-C4' energy: -38.413
flat angles C4'-P-C4' energy: -32.576
flat angles P-C4'-P energy: -24.283
tors. eta vs tors. theta energy: -39.518
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: 2
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -436.700483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.700483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.700483 (E_RNA)
where:
Base-Base interactions energy: -271.715
where: short stacking energy: -144.435
Base-Backbone interact. energy: -0.223
local terms energy: -164.762686
where:
bonds (distance) C4'-P energy: -31.338
bonds (distance) P-C4' energy: -36.616
flat angles C4'-P-C4' energy: -40.483
flat angles P-C4'-P energy: -20.285
tors. eta vs tors. theta energy: -36.041
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: 7
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -410.676921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.676921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.676921 (E_RNA)
where:
Base-Base interactions energy: -288.674
where: short stacking energy: -121.389
Base-Backbone interact. energy: -0.768
local terms energy: -121.234374
where:
bonds (distance) C4'-P energy: -27.916
bonds (distance) P-C4' energy: -31.894
flat angles C4'-P-C4' energy: -28.396
flat angles P-C4'-P energy: -12.559
tors. eta vs tors. theta energy: -20.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -361.727825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.727825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.727825 (E_RNA)
where:
Base-Base interactions energy: -219.764
where: short stacking energy: -110.959
Base-Backbone interact. energy: -0.681
local terms energy: -141.282812
where:
bonds (distance) C4'-P energy: -33.303
bonds (distance) P-C4' energy: -29.054
flat angles C4'-P-C4' energy: -30.347
flat angles P-C4'-P energy: -22.384
tors. eta vs tors. theta energy: -26.194
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: 1
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -277.854232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.854232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.854232 (E_RNA)
where:
Base-Base interactions energy: -136.098
where: short stacking energy: -91.484
Base-Backbone interact. energy: -0.289
local terms energy: -141.467464
where:
bonds (distance) C4'-P energy: -35.196
bonds (distance) P-C4' energy: -32.734
flat angles C4'-P-C4' energy: -33.303
flat angles P-C4'-P energy: -23.854
tors. eta vs tors. theta energy: -16.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -311.432341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.432341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.432341 (E_RNA)
where:
Base-Base interactions energy: -189.704
where: short stacking energy: -90.009
Base-Backbone interact. energy: -0.409
local terms energy: -121.319326
where:
bonds (distance) C4'-P energy: -29.178
bonds (distance) P-C4' energy: -26.646
flat angles C4'-P-C4' energy: -32.600
flat angles P-C4'-P energy: -17.079
tors. eta vs tors. theta energy: -15.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -261.101957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.101957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.101957 (E_RNA)
where:
Base-Base interactions energy: -143.501
where: short stacking energy: -105.001
Base-Backbone interact. energy: -0.285
local terms energy: -117.315460
where:
bonds (distance) C4'-P energy: -22.227
bonds (distance) P-C4' energy: -35.838
flat angles C4'-P-C4' energy: -29.652
flat angles P-C4'-P energy: -12.426
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: 5
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -218.796222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.796222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.796222 (E_RNA)
where:
Base-Base interactions energy: -127.492
where: short stacking energy: -72.368
Base-Backbone interact. energy: -0.963
local terms energy: -90.341360
where:
bonds (distance) C4'-P energy: -21.849
bonds (distance) P-C4' energy: -25.513
flat angles C4'-P-C4' energy: -28.095
flat angles P-C4'-P energy: -11.572
tors. eta vs tors. theta energy: -3.313
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: 6
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -522.831156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.831156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.831156 (E_RNA)
where:
Base-Base interactions energy: -358.986
where: short stacking energy: -148.479
Base-Backbone interact. energy: 3.150
local terms energy: -166.995480
where:
bonds (distance) C4'-P energy: -37.157
bonds (distance) P-C4' energy: -37.983
flat angles C4'-P-C4' energy: -33.279
flat angles P-C4'-P energy: -27.121
tors. eta vs tors. theta energy: -31.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -525.321425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.321425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.321425 (E_RNA)
where:
Base-Base interactions energy: -357.801
where: short stacking energy: -159.654
Base-Backbone interact. energy: 0.155
local terms energy: -167.675978
where:
bonds (distance) C4'-P energy: -33.860
bonds (distance) P-C4' energy: -35.536
flat angles C4'-P-C4' energy: -38.471
flat angles P-C4'-P energy: -21.408
tors. eta vs tors. theta energy: -38.400
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: 9
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -505.093742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.093742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.093742 (E_RNA)
where:
Base-Base interactions energy: -337.772
where: short stacking energy: -153.372
Base-Backbone interact. energy: -0.517
local terms energy: -166.804308
where:
bonds (distance) C4'-P energy: -31.674
bonds (distance) P-C4' energy: -27.239
flat angles C4'-P-C4' energy: -38.856
flat angles P-C4'-P energy: -27.988
tors. eta vs tors. theta energy: -41.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -445.134441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.134441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.134441 (E_RNA)
where:
Base-Base interactions energy: -275.024
where: short stacking energy: -131.923
Base-Backbone interact. energy: -0.940
local terms energy: -169.171050
where:
bonds (distance) C4'-P energy: -39.249
bonds (distance) P-C4' energy: -37.891
flat angles C4'-P-C4' energy: -35.714
flat angles P-C4'-P energy: -22.488
tors. eta vs tors. theta energy: -33.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -417.970232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.970232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.970232 (E_RNA)
where:
Base-Base interactions energy: -262.157
where: short stacking energy: -128.386
Base-Backbone interact. energy: 1.389
local terms energy: -157.201658
where:
bonds (distance) C4'-P energy: -30.827
bonds (distance) P-C4' energy: -33.842
flat angles C4'-P-C4' energy: -36.155
flat angles P-C4'-P energy: -25.084
tors. eta vs tors. theta energy: -31.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -349.204269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.204269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.204269 (E_RNA)
where:
Base-Base interactions energy: -225.958
where: short stacking energy: -119.582
Base-Backbone interact. energy: 2.105
local terms energy: -125.351933
where:
bonds (distance) C4'-P energy: -22.806
bonds (distance) P-C4' energy: -28.561
flat angles C4'-P-C4' energy: -30.422
flat angles P-C4'-P energy: -16.224
tors. eta vs tors. theta energy: -27.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -257.082845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.082845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.082845 (E_RNA)
where:
Base-Base interactions energy: -147.196
where: short stacking energy: -77.342
Base-Backbone interact. energy: -0.273
local terms energy: -109.613323
where:
bonds (distance) C4'-P energy: -30.180
bonds (distance) P-C4' energy: -28.136
flat angles C4'-P-C4' energy: -24.314
flat angles P-C4'-P energy: -23.051
tors. eta vs tors. theta energy: -3.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -308.646123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.646123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.646123 (E_RNA)
where:
Base-Base interactions energy: -196.410
where: short stacking energy: -81.832
Base-Backbone interact. energy: 0.361
local terms energy: -112.597260
where:
bonds (distance) C4'-P energy: -22.364
bonds (distance) P-C4' energy: -33.416
flat angles C4'-P-C4' energy: -25.186
flat angles P-C4'-P energy: -23.611
tors. eta vs tors. theta energy: -8.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -235.068748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.068748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.068748 (E_RNA)
where:
Base-Base interactions energy: -112.753
where: short stacking energy: -68.480
Base-Backbone interact. energy: -2.950
local terms energy: -119.365701
where:
bonds (distance) C4'-P energy: -29.604
bonds (distance) P-C4' energy: -28.998
flat angles C4'-P-C4' energy: -31.769
flat angles P-C4'-P energy: -15.862
tors. eta vs tors. theta energy: -13.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -210.493607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.493607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.493607 (E_RNA)
where:
Base-Base interactions energy: -114.047
where: short stacking energy: -65.194
Base-Backbone interact. energy: -0.218
local terms energy: -96.228264
where:
bonds (distance) C4'-P energy: -28.500
bonds (distance) P-C4' energy: -21.006
flat angles C4'-P-C4' energy: -22.226
flat angles P-C4'-P energy: -16.986
tors. eta vs tors. theta energy: -7.510
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: 6
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -524.663896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.663896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.663896 (E_RNA)
where:
Base-Base interactions energy: -351.630
where: short stacking energy: -160.843
Base-Backbone interact. energy: -1.250
local terms energy: -171.783525
where:
bonds (distance) C4'-P energy: -35.986
bonds (distance) P-C4' energy: -35.480
flat angles C4'-P-C4' energy: -37.658
flat angles P-C4'-P energy: -22.511
tors. eta vs tors. theta energy: -40.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -516.607921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.607921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.607921 (E_RNA)
where:
Base-Base interactions energy: -358.862
where: short stacking energy: -159.143
Base-Backbone interact. energy: -0.727
local terms energy: -157.018564
where:
bonds (distance) C4'-P energy: -35.320
bonds (distance) P-C4' energy: -30.845
flat angles C4'-P-C4' energy: -38.214
flat angles P-C4'-P energy: -21.866
tors. eta vs tors. theta energy: -30.773
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: 9
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -507.700206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.700206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.700206 (E_RNA)
where:
Base-Base interactions energy: -354.031
where: short stacking energy: -151.479
Base-Backbone interact. energy: -0.558
local terms energy: -153.111636
where:
bonds (distance) C4'-P energy: -28.129
bonds (distance) P-C4' energy: -28.558
flat angles C4'-P-C4' energy: -34.492
flat angles P-C4'-P energy: -24.124
tors. eta vs tors. theta energy: -37.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -429.087391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.087391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.087391 (E_RNA)
where:
Base-Base interactions energy: -275.691
where: short stacking energy: -139.377
Base-Backbone interact. energy: -0.547
local terms energy: -152.849713
where:
bonds (distance) C4'-P energy: -33.334
bonds (distance) P-C4' energy: -39.311
flat angles C4'-P-C4' energy: -32.065
flat angles P-C4'-P energy: -16.115
tors. eta vs tors. theta energy: -32.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -391.960801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.960801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.960801 (E_RNA)
where:
Base-Base interactions energy: -232.259
where: short stacking energy: -120.660
Base-Backbone interact. energy: -0.318
local terms energy: -159.383521
where:
bonds (distance) C4'-P energy: -34.392
bonds (distance) P-C4' energy: -40.046
flat angles C4'-P-C4' energy: -35.660
flat angles P-C4'-P energy: -23.411
tors. eta vs tors. theta energy: -25.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -370.584598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.584598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.584598 (E_RNA)
where:
Base-Base interactions energy: -222.905
where: short stacking energy: -118.892
Base-Backbone interact. energy: -0.039
local terms energy: -147.640449
where:
bonds (distance) C4'-P energy: -29.323
bonds (distance) P-C4' energy: -38.100
flat angles C4'-P-C4' energy: -34.197
flat angles P-C4'-P energy: -20.376
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: 10
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -321.987455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.987455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.987455 (E_RNA)
where:
Base-Base interactions energy: -189.134
where: short stacking energy: -103.528
Base-Backbone interact. energy: 0.531
local terms energy: -133.384150
where:
bonds (distance) C4'-P energy: -27.451
bonds (distance) P-C4' energy: -30.503
flat angles C4'-P-C4' energy: -36.529
flat angles P-C4'-P energy: -20.363
tors. eta vs tors. theta energy: -18.538
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: 8, replica: 1
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -262.312911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.312911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.312911 (E_RNA)
where:
Base-Base interactions energy: -153.374
where: short stacking energy: -108.009
Base-Backbone interact. energy: -0.279
local terms energy: -108.659663
where:
bonds (distance) C4'-P energy: -27.680
bonds (distance) P-C4' energy: -29.279
flat angles C4'-P-C4' energy: -22.074
flat angles P-C4'-P energy: -11.403
tors. eta vs tors. theta energy: -18.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -217.927187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.927187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.927187 (E_RNA)
where:
Base-Base interactions energy: -122.518
where: short stacking energy: -64.368
Base-Backbone interact. energy: -1.161
local terms energy: -94.248384
where:
bonds (distance) C4'-P energy: -28.411
bonds (distance) P-C4' energy: -33.156
flat angles C4'-P-C4' energy: -23.718
flat angles P-C4'-P energy: -9.311
tors. eta vs tors. theta energy: 0.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -219.569038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.569038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.569038 (E_RNA)
where:
Base-Base interactions energy: -105.923
where: short stacking energy: -64.158
Base-Backbone interact. energy: -1.840
local terms energy: -111.806733
where:
bonds (distance) C4'-P energy: -34.861
bonds (distance) P-C4' energy: -29.586
flat angles C4'-P-C4' energy: -32.439
flat angles P-C4'-P energy: -8.794
tors. eta vs tors. theta energy: -6.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -535.228920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.228920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.228920 (E_RNA)
where:
Base-Base interactions energy: -361.107
where: short stacking energy: -174.371
Base-Backbone interact. energy: -1.495
local terms energy: -172.626464
where:
bonds (distance) C4'-P energy: -36.432
bonds (distance) P-C4' energy: -38.523
flat angles C4'-P-C4' energy: -33.708
flat angles P-C4'-P energy: -23.099
tors. eta vs tors. theta energy: -40.865
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: 4
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -504.780629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.780629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.780629 (E_RNA)
where:
Base-Base interactions energy: -352.785
where: short stacking energy: -171.787
Base-Backbone interact. energy: 3.673
local terms energy: -155.668386
where:
bonds (distance) C4'-P energy: -24.423
bonds (distance) P-C4' energy: -29.933
flat angles C4'-P-C4' energy: -31.264
flat angles P-C4'-P energy: -30.251
tors. eta vs tors. theta energy: -39.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -499.813335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.813335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.813335 (E_RNA)
where:
Base-Base interactions energy: -332.958
where: short stacking energy: -145.229
Base-Backbone interact. energy: 0.603
local terms energy: -167.458799
where:
bonds (distance) C4'-P energy: -32.541
bonds (distance) P-C4' energy: -26.462
flat angles C4'-P-C4' energy: -42.804
flat angles P-C4'-P energy: -24.312
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: 4, replica: 7
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -438.266341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.266341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.266341 (E_RNA)
where:
Base-Base interactions energy: -294.787
where: short stacking energy: -138.889
Base-Backbone interact. energy: 0.680
local terms energy: -144.159721
where:
bonds (distance) C4'-P energy: -27.392
bonds (distance) P-C4' energy: -31.426
flat angles C4'-P-C4' energy: -27.913
flat angles P-C4'-P energy: -24.400
tors. eta vs tors. theta energy: -33.028
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: 2
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -369.825582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.825582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.825582 (E_RNA)
where:
Base-Base interactions energy: -225.982
where: short stacking energy: -115.212
Base-Backbone interact. energy: 1.148
local terms energy: -144.991453
where:
bonds (distance) C4'-P energy: -31.823
bonds (distance) P-C4' energy: -35.921
flat angles C4'-P-C4' energy: -28.261
flat angles P-C4'-P energy: -22.900
tors. eta vs tors. theta energy: -26.087
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: 8
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -361.217891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.217891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.217891 (E_RNA)
where:
Base-Base interactions energy: -222.003
where: short stacking energy: -120.133
Base-Backbone interact. energy: 5.976
local terms energy: -145.191114
where:
bonds (distance) C4'-P energy: -28.835
bonds (distance) P-C4' energy: -31.199
flat angles C4'-P-C4' energy: -36.383
flat angles P-C4'-P energy: -20.139
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: 7, replica: 10
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -336.333500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.333500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.333500 (E_RNA)
where:
Base-Base interactions energy: -216.889
where: short stacking energy: -116.575
Base-Backbone interact. energy: -0.129
local terms energy: -119.315060
where:
bonds (distance) C4'-P energy: -32.891
bonds (distance) P-C4' energy: -23.330
flat angles C4'-P-C4' energy: -31.191
flat angles P-C4'-P energy: -15.506
tors. eta vs tors. theta energy: -16.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -246.678270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.678270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.678270 (E_RNA)
where:
Base-Base interactions energy: -114.775
where: short stacking energy: -68.545
Base-Backbone interact. energy: 0.563
local terms energy: -132.465525
where:
bonds (distance) C4'-P energy: -41.115
bonds (distance) P-C4' energy: -36.091
flat angles C4'-P-C4' energy: -26.552
flat angles P-C4'-P energy: -19.314
tors. eta vs tors. theta energy: -9.394
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: 1
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -231.409804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.409804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.409804 (E_RNA)
where:
Base-Base interactions energy: -120.321
where: short stacking energy: -60.738
Base-Backbone interact. energy: 0.683
local terms energy: -111.771889
where:
bonds (distance) C4'-P energy: -26.731
bonds (distance) P-C4' energy: -32.120
flat angles C4'-P-C4' energy: -37.222
flat angles P-C4'-P energy: -8.725
tors. eta vs tors. theta energy: -6.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -219.586542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.586542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.586542 (E_RNA)
where:
Base-Base interactions energy: -105.746
where: short stacking energy: -66.764
Base-Backbone interact. energy: -0.567
local terms energy: -113.273617
where:
bonds (distance) C4'-P energy: -25.413
bonds (distance) P-C4' energy: -32.059
flat angles C4'-P-C4' energy: -30.114
flat angles P-C4'-P energy: -19.765
tors. eta vs tors. theta energy: -5.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -546.399458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.399458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.399458 (E_RNA)
where:
Base-Base interactions energy: -376.845
where: short stacking energy: -155.642
Base-Backbone interact. energy: -1.035
local terms energy: -168.519414
where:
bonds (distance) C4'-P energy: -32.363
bonds (distance) P-C4' energy: -41.831
flat angles C4'-P-C4' energy: -31.824
flat angles P-C4'-P energy: -29.103
tors. eta vs tors. theta energy: -33.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -510.753169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.753169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.753169 (E_RNA)
where:
Base-Base interactions energy: -357.247
where: short stacking energy: -168.961
Base-Backbone interact. energy: -1.071
local terms energy: -152.435468
where:
bonds (distance) C4'-P energy: -32.462
bonds (distance) P-C4' energy: -26.847
flat angles C4'-P-C4' energy: -34.347
flat angles P-C4'-P energy: -21.999
tors. eta vs tors. theta energy: -36.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -491.166292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.166292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.166292 (E_RNA)
where:
Base-Base interactions energy: -331.107
where: short stacking energy: -159.573
Base-Backbone interact. energy: -0.683
local terms energy: -159.376904
where:
bonds (distance) C4'-P energy: -26.774
bonds (distance) P-C4' energy: -29.105
flat angles C4'-P-C4' energy: -36.907
flat angles P-C4'-P energy: -27.039
tors. eta vs tors. theta energy: -39.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -468.817730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.817730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.817730 (E_RNA)
where:
Base-Base interactions energy: -298.378
where: short stacking energy: -154.068
Base-Backbone interact. energy: -0.684
local terms energy: -169.755910
where:
bonds (distance) C4'-P energy: -29.653
bonds (distance) P-C4' energy: -28.060
flat angles C4'-P-C4' energy: -40.396
flat angles P-C4'-P energy: -26.308
tors. eta vs tors. theta energy: -45.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -392.024026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.024026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.024026 (E_RNA)
where:
Base-Base interactions energy: -231.495
where: short stacking energy: -136.062
Base-Backbone interact. energy: -0.592
local terms energy: -159.937144
where:
bonds (distance) C4'-P energy: -32.929
bonds (distance) P-C4' energy: -35.418
flat angles C4'-P-C4' energy: -34.758
flat angles P-C4'-P energy: -23.855
tors. eta vs tors. theta energy: -32.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -377.306504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.306504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.306504 (E_RNA)
where:
Base-Base interactions energy: -216.821
where: short stacking energy: -128.463
Base-Backbone interact. energy: -0.639
local terms energy: -159.846372
where:
bonds (distance) C4'-P energy: -35.105
bonds (distance) P-C4' energy: -31.455
flat angles C4'-P-C4' energy: -33.505
flat angles P-C4'-P energy: -22.217
tors. eta vs tors. theta energy: -37.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -345.513633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.513633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.513633 (E_RNA)
where:
Base-Base interactions energy: -212.348
where: short stacking energy: -101.220
Base-Backbone interact. energy: 1.917
local terms energy: -135.082511
where:
bonds (distance) C4'-P energy: -30.192
bonds (distance) P-C4' energy: -32.029
flat angles C4'-P-C4' energy: -28.536
flat angles P-C4'-P energy: -26.706
tors. eta vs tors. theta energy: -17.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -242.240073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.240073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.240073 (E_RNA)
where:
Base-Base interactions energy: -137.438
where: short stacking energy: -75.867
Base-Backbone interact. energy: 0.517
local terms energy: -105.319092
where:
bonds (distance) C4'-P energy: -19.629
bonds (distance) P-C4' energy: -29.743
flat angles C4'-P-C4' energy: -31.787
flat angles P-C4'-P energy: -19.147
tors. eta vs tors. theta energy: -5.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -261.293521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.293521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.293521 (E_RNA)
where:
Base-Base interactions energy: -146.304
where: short stacking energy: -69.448
Base-Backbone interact. energy: -1.881
local terms energy: -113.108258
where:
bonds (distance) C4'-P energy: -29.665
bonds (distance) P-C4' energy: -25.513
flat angles C4'-P-C4' energy: -30.648
flat angles P-C4'-P energy: -20.671
tors. eta vs tors. theta energy: -6.611
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: 5
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -220.462322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.462322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.462322 (E_RNA)
where:
Base-Base interactions energy: -114.819
where: short stacking energy: -71.820
Base-Backbone interact. energy: -1.019
local terms energy: -104.623781
where:
bonds (distance) C4'-P energy: -26.883
bonds (distance) P-C4' energy: -27.158
flat angles C4'-P-C4' energy: -29.961
flat angles P-C4'-P energy: -17.561
tors. eta vs tors. theta energy: -3.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -543.477732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.477732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.477732 (E_RNA)
where:
Base-Base interactions energy: -369.091
where: short stacking energy: -164.667
Base-Backbone interact. energy: 0.953
local terms energy: -175.339318
where:
bonds (distance) C4'-P energy: -38.588
bonds (distance) P-C4' energy: -34.664
flat angles C4'-P-C4' energy: -35.536
flat angles P-C4'-P energy: -28.062
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: 2, replica: 6
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -540.195904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.195904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.195904 (E_RNA)
where:
Base-Base interactions energy: -368.834
where: short stacking energy: -150.822
Base-Backbone interact. energy: -0.875
local terms energy: -170.487274
where:
bonds (distance) C4'-P energy: -35.532
bonds (distance) P-C4' energy: -37.430
flat angles C4'-P-C4' energy: -35.495
flat angles P-C4'-P energy: -24.240
tors. eta vs tors. theta energy: -37.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -500.171498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.171498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.171498 (E_RNA)
where:
Base-Base interactions energy: -334.945
where: short stacking energy: -156.444
Base-Backbone interact. energy: 1.086
local terms energy: -166.312857
where:
bonds (distance) C4'-P energy: -33.141
bonds (distance) P-C4' energy: -35.678
flat angles C4'-P-C4' energy: -35.615
flat angles P-C4'-P energy: -16.781
tors. eta vs tors. theta energy: -45.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -427.823416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.823416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.823416 (E_RNA)
where:
Base-Base interactions energy: -273.806
where: short stacking energy: -133.454
Base-Backbone interact. energy: -0.666
local terms energy: -153.351284
where:
bonds (distance) C4'-P energy: -34.193
bonds (distance) P-C4' energy: -37.240
flat angles C4'-P-C4' energy: -24.800
flat angles P-C4'-P energy: -18.449
tors. eta vs tors. theta energy: -38.670
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: 8
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -351.710960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.710960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.710960 (E_RNA)
where:
Base-Base interactions energy: -202.842
where: short stacking energy: -112.455
Base-Backbone interact. energy: 1.142
local terms energy: -150.010632
where:
bonds (distance) C4'-P energy: -33.955
bonds (distance) P-C4' energy: -32.608
flat angles C4'-P-C4' energy: -33.693
flat angles P-C4'-P energy: -21.419
tors. eta vs tors. theta energy: -28.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -347.296153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.296153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.296153 (E_RNA)
where:
Base-Base interactions energy: -214.612
where: short stacking energy: -118.586
Base-Backbone interact. energy: -0.423
local terms energy: -132.261680
where:
bonds (distance) C4'-P energy: -25.112
bonds (distance) P-C4' energy: -26.614
flat angles C4'-P-C4' energy: -29.077
flat angles P-C4'-P energy: -21.956
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: 10
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -314.651975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.651975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.651975 (E_RNA)
where:
Base-Base interactions energy: -178.900
where: short stacking energy: -89.766
Base-Backbone interact. energy: -0.297
local terms energy: -135.454945
where:
bonds (distance) C4'-P energy: -30.123
bonds (distance) P-C4' energy: -33.577
flat angles C4'-P-C4' energy: -29.435
flat angles P-C4'-P energy: -23.355
tors. eta vs tors. theta energy: -18.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -293.065383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.065383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.065383 (E_RNA)
where:
Base-Base interactions energy: -187.083
where: short stacking energy: -98.345
Base-Backbone interact. energy: -0.883
local terms energy: -105.099075
where:
bonds (distance) C4'-P energy: -29.233
bonds (distance) P-C4' energy: -22.093
flat angles C4'-P-C4' energy: -25.582
flat angles P-C4'-P energy: -12.125
tors. eta vs tors. theta energy: -16.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -238.628569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.628569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.628569 (E_RNA)
where:
Base-Base interactions energy: -132.499
where: short stacking energy: -78.989
Base-Backbone interact. energy: -0.441
local terms energy: -105.688491
where:
bonds (distance) C4'-P energy: -34.048
bonds (distance) P-C4' energy: -30.360
flat angles C4'-P-C4' energy: -24.862
flat angles P-C4'-P energy: -10.334
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: 10, replica: 5
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -217.932902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.932902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.932902 (E_RNA)
where:
Base-Base interactions energy: -116.620
where: short stacking energy: -64.929
Base-Backbone interact. energy: 0.304
local terms energy: -101.617336
where:
bonds (distance) C4'-P energy: -31.548
bonds (distance) P-C4' energy: -31.317
flat angles C4'-P-C4' energy: -15.805
flat angles P-C4'-P energy: -19.372
tors. eta vs tors. theta energy: -3.576
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: 6
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -550.879421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.879421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.879421 (E_RNA)
where:
Base-Base interactions energy: -367.958
where: short stacking energy: -171.612
Base-Backbone interact. energy: 0.276
local terms energy: -183.197461
where:
bonds (distance) C4'-P energy: -30.787
bonds (distance) P-C4' energy: -35.359
flat angles C4'-P-C4' energy: -42.063
flat angles P-C4'-P energy: -29.982
tors. eta vs tors. theta energy: -45.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -537.863533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.863533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.863533 (E_RNA)
where:
Base-Base interactions energy: -373.356
where: short stacking energy: -158.418
Base-Backbone interact. energy: -0.909
local terms energy: -163.598102
where:
bonds (distance) C4'-P energy: -33.595
bonds (distance) P-C4' energy: -41.013
flat angles C4'-P-C4' energy: -31.291
flat angles P-C4'-P energy: -21.248
tors. eta vs tors. theta energy: -36.451
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: 9
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -509.792797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.792797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.792797 (E_RNA)
where:
Base-Base interactions energy: -324.110
where: short stacking energy: -155.153
Base-Backbone interact. energy: -1.029
local terms energy: -184.654585
where:
bonds (distance) C4'-P energy: -34.730
bonds (distance) P-C4' energy: -39.149
flat angles C4'-P-C4' energy: -38.785
flat angles P-C4'-P energy: -28.660
tors. eta vs tors. theta energy: -43.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -447.111593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.111593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.111593 (E_RNA)
where:
Base-Base interactions energy: -310.319
where: short stacking energy: -142.621
Base-Backbone interact. energy: -0.320
local terms energy: -136.472935
where:
bonds (distance) C4'-P energy: -29.426
bonds (distance) P-C4' energy: -33.053
flat angles C4'-P-C4' energy: -27.101
flat angles P-C4'-P energy: -11.149
tors. eta vs tors. theta energy: -35.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -365.738137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.738137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.738137 (E_RNA)
where:
Base-Base interactions energy: -220.797
where: short stacking energy: -113.679
Base-Backbone interact. energy: -0.403
local terms energy: -144.538703
where:
bonds (distance) C4'-P energy: -32.521
bonds (distance) P-C4' energy: -25.622
flat angles C4'-P-C4' energy: -35.763
flat angles P-C4'-P energy: -24.454
tors. eta vs tors. theta energy: -26.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -335.963735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.963735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.963735 (E_RNA)
where:
Base-Base interactions energy: -208.935
where: short stacking energy: -108.749
Base-Backbone interact. energy: -0.513
local terms energy: -126.515821
where:
bonds (distance) C4'-P energy: -24.139
bonds (distance) P-C4' energy: -30.450
flat angles C4'-P-C4' energy: -26.540
flat angles P-C4'-P energy: -26.993
tors. eta vs tors. theta energy: -18.394
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: 10
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -319.308672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.308672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.308672 (E_RNA)
where:
Base-Base interactions energy: -200.306
where: short stacking energy: -91.823
Base-Backbone interact. energy: -0.764
local terms energy: -118.238059
where:
bonds (distance) C4'-P energy: -35.776
bonds (distance) P-C4' energy: -30.298
flat angles C4'-P-C4' energy: -24.056
flat angles P-C4'-P energy: -17.838
tors. eta vs tors. theta energy: -10.270
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: 1
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -331.127028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.127028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.127028 (E_RNA)
where:
Base-Base interactions energy: -194.000
where: short stacking energy: -99.741
Base-Backbone interact. energy: 0.320
local terms energy: -137.446708
where:
bonds (distance) C4'-P energy: -31.016
bonds (distance) P-C4' energy: -35.287
flat angles C4'-P-C4' energy: -34.656
flat angles P-C4'-P energy: -21.140
tors. eta vs tors. theta energy: -15.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -238.456390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.456390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.456390 (E_RNA)
where:
Base-Base interactions energy: -130.626
where: short stacking energy: -79.822
Base-Backbone interact. energy: -1.025
local terms energy: -106.805207
where:
bonds (distance) C4'-P energy: -31.919
bonds (distance) P-C4' energy: -32.044
flat angles C4'-P-C4' energy: -20.136
flat angles P-C4'-P energy: -17.484
tors. eta vs tors. theta energy: -5.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -219.725751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.725751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.725751 (E_RNA)
where:
Base-Base interactions energy: -107.483
where: short stacking energy: -73.073
Base-Backbone interact. energy: -0.324
local terms energy: -111.919296
where:
bonds (distance) C4'-P energy: -23.353
bonds (distance) P-C4' energy: -30.747
flat angles C4'-P-C4' energy: -28.822
flat angles P-C4'-P energy: -19.610
tors. eta vs tors. theta energy: -9.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -532.840938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.840938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.840938 (E_RNA)
where:
Base-Base interactions energy: -353.357
where: short stacking energy: -161.218
Base-Backbone interact. energy: -0.438
local terms energy: -179.045819
where:
bonds (distance) C4'-P energy: -32.145
bonds (distance) P-C4' energy: -35.130
flat angles C4'-P-C4' energy: -38.119
flat angles P-C4'-P energy: -28.726
tors. eta vs tors. theta energy: -44.926
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: 2, replica: 4
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -514.097391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.097391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.097391 (E_RNA)
where:
Base-Base interactions energy: -359.126
where: short stacking energy: -151.449
Base-Backbone interact. energy: 0.931
local terms energy: -155.902918
where:
bonds (distance) C4'-P energy: -29.682
bonds (distance) P-C4' energy: -37.465
flat angles C4'-P-C4' energy: -37.127
flat angles P-C4'-P energy: -17.366
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: 3, replica: 9
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -510.346245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.346245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.346245 (E_RNA)
where:
Base-Base interactions energy: -331.332
where: short stacking energy: -165.652
Base-Backbone interact. energy: -0.919
local terms energy: -178.094905
where:
bonds (distance) C4'-P energy: -35.824
bonds (distance) P-C4' energy: -36.734
flat angles C4'-P-C4' energy: -36.305
flat angles P-C4'-P energy: -26.180
tors. eta vs tors. theta energy: -43.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -437.791091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.791091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.791091 (E_RNA)
where:
Base-Base interactions energy: -296.902
where: short stacking energy: -123.384
Base-Backbone interact. energy: -0.416
local terms energy: -140.473805
where:
bonds (distance) C4'-P energy: -28.712
bonds (distance) P-C4' energy: -35.699
flat angles C4'-P-C4' energy: -31.482
flat angles P-C4'-P energy: -21.113
tors. eta vs tors. theta energy: -23.467
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: 5, replica: 2
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -394.208512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.208512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.208512 (E_RNA)
where:
Base-Base interactions energy: -232.370
where: short stacking energy: -125.720
Base-Backbone interact. energy: -0.190
local terms energy: -161.647840
where:
bonds (distance) C4'-P energy: -30.736
bonds (distance) P-C4' energy: -37.836
flat angles C4'-P-C4' energy: -38.909
flat angles P-C4'-P energy: -22.875
tors. eta vs tors. theta energy: -31.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -373.413768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.413768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.413768 (E_RNA)
where:
Base-Base interactions energy: -237.563
where: short stacking energy: -98.615
Base-Backbone interact. energy: 0.070
local terms energy: -135.920329
where:
bonds (distance) C4'-P energy: -28.508
bonds (distance) P-C4' energy: -37.453
flat angles C4'-P-C4' energy: -33.114
flat angles P-C4'-P energy: -22.648
tors. eta vs tors. theta energy: -14.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -348.099615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.099615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.099615 (E_RNA)
where:
Base-Base interactions energy: -219.583
where: short stacking energy: -106.200
Base-Backbone interact. energy: -0.331
local terms energy: -128.185280
where:
bonds (distance) C4'-P energy: -25.414
bonds (distance) P-C4' energy: -33.550
flat angles C4'-P-C4' energy: -27.032
flat angles P-C4'-P energy: -17.764
tors. eta vs tors. theta energy: -24.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -313.568545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.568545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.568545 (E_RNA)
where:
Base-Base interactions energy: -185.092
where: short stacking energy: -91.521
Base-Backbone interact. energy: -0.396
local terms energy: -128.080075
where:
bonds (distance) C4'-P energy: -34.919
bonds (distance) P-C4' energy: -30.276
flat angles C4'-P-C4' energy: -27.892
flat angles P-C4'-P energy: -15.753
tors. eta vs tors. theta energy: -19.241
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: 5
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -274.360780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.360780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.360780 (E_RNA)
where:
Base-Base interactions energy: -157.191
where: short stacking energy: -90.541
Base-Backbone interact. energy: -1.068
local terms energy: -116.102518
where:
bonds (distance) C4'-P energy: -30.216
bonds (distance) P-C4' energy: -33.310
flat angles C4'-P-C4' energy: -26.888
flat angles P-C4'-P energy: -11.724
tors. eta vs tors. theta energy: -13.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -219.686793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.686793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.686793 (E_RNA)
where:
Base-Base interactions energy: -108.646
where: short stacking energy: -60.136
Base-Backbone interact. energy: 2.916
local terms energy: -113.957218
where:
bonds (distance) C4'-P energy: -31.778
bonds (distance) P-C4' energy: -27.211
flat angles C4'-P-C4' energy: -32.246
flat angles P-C4'-P energy: -15.356
tors. eta vs tors. theta energy: -7.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -546.559403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.559403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.559403 (E_RNA)
where:
Base-Base interactions energy: -374.126
where: short stacking energy: -173.347
Base-Backbone interact. energy: -0.136
local terms energy: -172.297962
where:
bonds (distance) C4'-P energy: -31.044
bonds (distance) P-C4' energy: -38.482
flat angles C4'-P-C4' energy: -32.683
flat angles P-C4'-P energy: -28.696
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: 2, replica: 6
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -526.674263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.674263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.674263 (E_RNA)
where:
Base-Base interactions energy: -359.564
where: short stacking energy: -161.494
Base-Backbone interact. energy: -1.103
local terms energy: -166.007310
where:
bonds (distance) C4'-P energy: -36.717
bonds (distance) P-C4' energy: -30.300
flat angles C4'-P-C4' energy: -38.374
flat angles P-C4'-P energy: -18.690
tors. eta vs tors. theta energy: -41.926
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: 9
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -510.136721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.136721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.136721 (E_RNA)
where:
Base-Base interactions energy: -329.634
where: short stacking energy: -154.333
Base-Backbone interact. energy: -0.662
local terms energy: -179.840083
where:
bonds (distance) C4'-P energy: -37.841
bonds (distance) P-C4' energy: -35.160
flat angles C4'-P-C4' energy: -37.804
flat angles P-C4'-P energy: -30.654
tors. eta vs tors. theta energy: -38.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -407.520292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.520292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.520292 (E_RNA)
where:
Base-Base interactions energy: -252.321
where: short stacking energy: -125.713
Base-Backbone interact. energy: -0.717
local terms energy: -154.482357
where:
bonds (distance) C4'-P energy: -35.404
bonds (distance) P-C4' energy: -32.808
flat angles C4'-P-C4' energy: -39.749
flat angles P-C4'-P energy: -20.055
tors. eta vs tors. theta energy: -26.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -401.508805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.508805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.508805 (E_RNA)
where:
Base-Base interactions energy: -254.582
where: short stacking energy: -127.425
Base-Backbone interact. energy: -0.305
local terms energy: -146.622034
where:
bonds (distance) C4'-P energy: -31.367
bonds (distance) P-C4' energy: -33.003
flat angles C4'-P-C4' energy: -34.834
flat angles P-C4'-P energy: -23.217
tors. eta vs tors. theta energy: -24.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -359.542639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.542639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.542639 (E_RNA)
where:
Base-Base interactions energy: -217.370
where: short stacking energy: -113.966
Base-Backbone interact. energy: 0.191
local terms energy: -142.363353
where:
bonds (distance) C4'-P energy: -31.632
bonds (distance) P-C4' energy: -31.353
flat angles C4'-P-C4' energy: -30.784
flat angles P-C4'-P energy: -17.516
tors. eta vs tors. theta energy: -31.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -327.286249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.286249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.286249 (E_RNA)
where:
Base-Base interactions energy: -198.956
where: short stacking energy: -103.854
Base-Backbone interact. energy: -0.854
local terms energy: -127.476284
where:
bonds (distance) C4'-P energy: -18.658
bonds (distance) P-C4' energy: -32.001
flat angles C4'-P-C4' energy: -34.323
flat angles P-C4'-P energy: -21.680
tors. eta vs tors. theta energy: -20.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -323.896458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.896458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.896458 (E_RNA)
where:
Base-Base interactions energy: -189.210
where: short stacking energy: -98.933
Base-Backbone interact. energy: -0.530
local terms energy: -134.156530
where:
bonds (distance) C4'-P energy: -29.059
bonds (distance) P-C4' energy: -27.981
flat angles C4'-P-C4' energy: -28.745
flat angles P-C4'-P energy: -27.311
tors. eta vs tors. theta energy: -21.060
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: 5
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -279.385340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.385340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.385340 (E_RNA)
where:
Base-Base interactions energy: -171.244
where: short stacking energy: -86.771
Base-Backbone interact. energy: -0.889
local terms energy: -107.252562
where:
bonds (distance) C4'-P energy: -21.830
bonds (distance) P-C4' energy: -25.512
flat angles C4'-P-C4' energy: -27.118
flat angles P-C4'-P energy: -18.954
tors. eta vs tors. theta energy: -13.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -238.130796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.130796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.130796 (E_RNA)
where:
Base-Base interactions energy: -138.579
where: short stacking energy: -82.674
Base-Backbone interact. energy: 5.270
local terms energy: -104.822234
where:
bonds (distance) C4'-P energy: -25.336
bonds (distance) P-C4' energy: -28.226
flat angles C4'-P-C4' energy: -27.676
flat angles P-C4'-P energy: -5.021
tors. eta vs tors. theta energy: -18.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -549.739160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.739160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.739160 (E_RNA)
where:
Base-Base interactions energy: -367.781
where: short stacking energy: -170.031
Base-Backbone interact. energy: -0.552
local terms energy: -181.406298
where:
bonds (distance) C4'-P energy: -36.369
bonds (distance) P-C4' energy: -37.420
flat angles C4'-P-C4' energy: -34.595
flat angles P-C4'-P energy: -29.984
tors. eta vs tors. theta energy: -43.038
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: 45
Temperature: 0.950000
Total energy: -522.701749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.701749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.701749 (E_RNA)
where:
Base-Base interactions energy: -356.073
where: short stacking energy: -165.727
Base-Backbone interact. energy: 0.328
local terms energy: -166.957411
where:
bonds (distance) C4'-P energy: -26.443
bonds (distance) P-C4' energy: -36.234
flat angles C4'-P-C4' energy: -36.639
flat angles P-C4'-P energy: -24.234
tors. eta vs tors. theta energy: -43.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -504.937447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.937447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.937447 (E_RNA)
where:
Base-Base interactions energy: -337.257
where: short stacking energy: -153.740
Base-Backbone interact. energy: -0.196
local terms energy: -167.484361
where:
bonds (distance) C4'-P energy: -33.852
bonds (distance) P-C4' energy: -28.325
flat angles C4'-P-C4' energy: -42.438
flat angles P-C4'-P energy: -23.014
tors. eta vs tors. theta energy: -39.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -398.405479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.405479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.405479 (E_RNA)
where:
Base-Base interactions energy: -251.020
where: short stacking energy: -111.131
Base-Backbone interact. energy: -0.576
local terms energy: -146.809943
where:
bonds (distance) C4'-P energy: -33.752
bonds (distance) P-C4' energy: -36.758
flat angles C4'-P-C4' energy: -32.332
flat angles P-C4'-P energy: -22.601
tors. eta vs tors. theta energy: -21.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -378.865577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.865577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.865577 (E_RNA)
where:
Base-Base interactions energy: -249.715
where: short stacking energy: -119.878
Base-Backbone interact. energy: -0.187
local terms energy: -128.963958
where:
bonds (distance) C4'-P energy: -27.820
bonds (distance) P-C4' energy: -25.908
flat angles C4'-P-C4' energy: -32.905
flat angles P-C4'-P energy: -13.712
tors. eta vs tors. theta energy: -28.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -338.232332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.232332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.232332 (E_RNA)
where:
Base-Base interactions energy: -202.492
where: short stacking energy: -111.345
Base-Backbone interact. energy: -0.591
local terms energy: -135.149517
where:
bonds (distance) C4'-P energy: -31.613
bonds (distance) P-C4' energy: -32.362
flat angles C4'-P-C4' energy: -29.708
flat angles P-C4'-P energy: -11.966
tors. eta vs tors. theta energy: -29.501
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: 2
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -338.559810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.559810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.559810 (E_RNA)
where:
Base-Base interactions energy: -195.960
where: short stacking energy: -106.507
Base-Backbone interact. energy: -0.178
local terms energy: -142.421322
where:
bonds (distance) C4'-P energy: -30.049
bonds (distance) P-C4' energy: -37.660
flat angles C4'-P-C4' energy: -23.121
flat angles P-C4'-P energy: -23.034
tors. eta vs tors. theta energy: -28.557
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: 10
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -313.849315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.849315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.849315 (E_RNA)
where:
Base-Base interactions energy: -181.820
where: short stacking energy: -103.515
Base-Backbone interact. energy: -1.141
local terms energy: -130.888705
where:
bonds (distance) C4'-P energy: -24.655
bonds (distance) P-C4' energy: -29.030
flat angles C4'-P-C4' energy: -34.255
flat angles P-C4'-P energy: -19.565
tors. eta vs tors. theta energy: -23.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -309.678492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.678492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.678492 (E_RNA)
where:
Base-Base interactions energy: -185.943
where: short stacking energy: -76.048
Base-Backbone interact. energy: 0.375
local terms energy: -124.111088
where:
bonds (distance) C4'-P energy: -27.538
bonds (distance) P-C4' energy: -33.257
flat angles C4'-P-C4' energy: -29.679
flat angles P-C4'-P energy: -21.842
tors. eta vs tors. theta energy: -11.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -233.127094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.127094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.127094 (E_RNA)
where:
Base-Base interactions energy: -109.093
where: short stacking energy: -68.357
Base-Backbone interact. energy: -1.549
local terms energy: -122.484777
where:
bonds (distance) C4'-P energy: -33.078
bonds (distance) P-C4' energy: -36.871
flat angles C4'-P-C4' energy: -36.641
flat angles P-C4'-P energy: -12.408
tors. eta vs tors. theta energy: -3.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -528.759686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.759686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.759686 (E_RNA)
where:
Base-Base interactions energy: -353.392
where: short stacking energy: -165.180
Base-Backbone interact. energy: -0.568
local terms energy: -174.799296
where:
bonds (distance) C4'-P energy: -37.856
bonds (distance) P-C4' energy: -37.633
flat angles C4'-P-C4' energy: -32.740
flat angles P-C4'-P energy: -23.642
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: 4
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -533.918438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.918438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.918438 (E_RNA)
where:
Base-Base interactions energy: -370.209
where: short stacking energy: -173.048
Base-Backbone interact. energy: -0.395
local terms energy: -163.314622
where:
bonds (distance) C4'-P energy: -33.041
bonds (distance) P-C4' energy: -28.208
flat angles C4'-P-C4' energy: -30.977
flat angles P-C4'-P energy: -24.749
tors. eta vs tors. theta energy: -46.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -508.927191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.927191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.927191 (E_RNA)
where:
Base-Base interactions energy: -335.890
where: short stacking energy: -156.342
Base-Backbone interact. energy: -0.989
local terms energy: -172.048004
where:
bonds (distance) C4'-P energy: -34.242
bonds (distance) P-C4' energy: -39.766
flat angles C4'-P-C4' energy: -35.379
flat angles P-C4'-P energy: -24.286
tors. eta vs tors. theta energy: -38.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -428.277539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.277539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.277539 (E_RNA)
where:
Base-Base interactions energy: -263.431
where: short stacking energy: -133.702
Base-Backbone interact. energy: -0.033
local terms energy: -164.813455
where:
bonds (distance) C4'-P energy: -34.659
bonds (distance) P-C4' energy: -35.535
flat angles C4'-P-C4' energy: -34.592
flat angles P-C4'-P energy: -27.136
tors. eta vs tors. theta energy: -32.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -374.140864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.140864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.140864 (E_RNA)
where:
Base-Base interactions energy: -233.482
where: short stacking energy: -120.879
Base-Backbone interact. energy: -0.622
local terms energy: -140.036050
where:
bonds (distance) C4'-P energy: -28.996
bonds (distance) P-C4' energy: -31.544
flat angles C4'-P-C4' energy: -37.128
flat angles P-C4'-P energy: -18.625
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: 6, replica: 1
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -348.411653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.411653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.411653 (E_RNA)
where:
Base-Base interactions energy: -222.004
where: short stacking energy: -104.189
Base-Backbone interact. energy: 0.251
local terms energy: -126.657910
where:
bonds (distance) C4'-P energy: -31.376
bonds (distance) P-C4' energy: -31.858
flat angles C4'-P-C4' energy: -32.480
flat angles P-C4'-P energy: -12.549
tors. eta vs tors. theta energy: -18.395
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: 7, replica: 10
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -351.053136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.053136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.053136 (E_RNA)
where:
Base-Base interactions energy: -209.574
where: short stacking energy: -118.974
Base-Backbone interact. energy: -0.301
local terms energy: -141.178017
where:
bonds (distance) C4'-P energy: -29.758
bonds (distance) P-C4' energy: -29.975
flat angles C4'-P-C4' energy: -28.185
flat angles P-C4'-P energy: -20.356
tors. eta vs tors. theta energy: -32.904
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: 2
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -320.145421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.145421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.145421 (E_RNA)
where:
Base-Base interactions energy: -196.620
where: short stacking energy: -86.400
Base-Backbone interact. energy: -0.401
local terms energy: -123.125160
where:
bonds (distance) C4'-P energy: -26.171
bonds (distance) P-C4' energy: -36.354
flat angles C4'-P-C4' energy: -25.941
flat angles P-C4'-P energy: -11.772
tors. eta vs tors. theta energy: -22.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -245.794948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.794948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.794948 (E_RNA)
where:
Base-Base interactions energy: -128.915
where: short stacking energy: -65.211
Base-Backbone interact. energy: 0.347
local terms energy: -117.226491
where:
bonds (distance) C4'-P energy: -32.833
bonds (distance) P-C4' energy: -33.676
flat angles C4'-P-C4' energy: -30.228
flat angles P-C4'-P energy: -17.126
tors. eta vs tors. theta energy: -3.365
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: 5
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -229.202395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.202395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.202395 (E_RNA)
where:
Base-Base interactions energy: -146.220
where: short stacking energy: -63.397
Base-Backbone interact. energy: -0.505
local terms energy: -82.477375
where:
bonds (distance) C4'-P energy: -18.413
bonds (distance) P-C4' energy: -28.774
flat angles C4'-P-C4' energy: -23.095
flat angles P-C4'-P energy: -12.302
tors. eta vs tors. theta energy: 0.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -548.187280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.187280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.187280 (E_RNA)
where:
Base-Base interactions energy: -385.107
where: short stacking energy: -171.143
Base-Backbone interact. energy: -0.722
local terms energy: -162.358795
where:
bonds (distance) C4'-P energy: -33.209
bonds (distance) P-C4' energy: -29.707
flat angles C4'-P-C4' energy: -30.484
flat angles P-C4'-P energy: -25.093
tors. eta vs tors. theta energy: -43.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -512.476333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.476333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.476333 (E_RNA)
where:
Base-Base interactions energy: -358.422
where: short stacking energy: -169.671
Base-Backbone interact. energy: 1.467
local terms energy: -155.520993
where:
bonds (distance) C4'-P energy: -28.699
bonds (distance) P-C4' energy: -31.094
flat angles C4'-P-C4' energy: -28.649
flat angles P-C4'-P energy: -26.701
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: 3, replica: 4
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -497.200797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.200797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.200797 (E_RNA)
where:
Base-Base interactions energy: -334.796
where: short stacking energy: -152.063
Base-Backbone interact. energy: 2.515
local terms energy: -164.920165
where:
bonds (distance) C4'-P energy: -31.311
bonds (distance) P-C4' energy: -40.905
flat angles C4'-P-C4' energy: -39.199
flat angles P-C4'-P energy: -18.375
tors. eta vs tors. theta energy: -35.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -419.723979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.723979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.723979 (E_RNA)
where:
Base-Base interactions energy: -267.682
where: short stacking energy: -133.102
Base-Backbone interact. energy: -0.136
local terms energy: -151.905678
where:
bonds (distance) C4'-P energy: -34.806
bonds (distance) P-C4' energy: -28.445
flat angles C4'-P-C4' energy: -35.732
flat angles P-C4'-P energy: -22.886
tors. eta vs tors. theta energy: -30.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -364.261587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.261587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.261587 (E_RNA)
where:
Base-Base interactions energy: -211.833
where: short stacking energy: -102.088
Base-Backbone interact. energy: 1.147
local terms energy: -153.576410
where:
bonds (distance) C4'-P energy: -27.532
bonds (distance) P-C4' energy: -32.562
flat angles C4'-P-C4' energy: -40.129
flat angles P-C4'-P energy: -25.783
tors. eta vs tors. theta energy: -27.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -363.603472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.603472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.603472 (E_RNA)
where:
Base-Base interactions energy: -229.181
where: short stacking energy: -111.571
Base-Backbone interact. energy: -0.645
local terms energy: -133.777925
where:
bonds (distance) C4'-P energy: -24.009
bonds (distance) P-C4' energy: -29.806
flat angles C4'-P-C4' energy: -33.284
flat angles P-C4'-P energy: -25.734
tors. eta vs tors. theta energy: -20.944
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: 7, replica: 10
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -329.704607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.704607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.704607 (E_RNA)
where:
Base-Base interactions energy: -190.798
where: short stacking energy: -106.277
Base-Backbone interact. energy: -0.288
local terms energy: -138.618675
where:
bonds (distance) C4'-P energy: -26.830
bonds (distance) P-C4' energy: -37.617
flat angles C4'-P-C4' energy: -32.264
flat angles P-C4'-P energy: -16.265
tors. eta vs tors. theta energy: -25.643
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: 2
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -240.588313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.588313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.588313 (E_RNA)
where:
Base-Base interactions energy: -123.784
where: short stacking energy: -59.623
Base-Backbone interact. energy: -0.159
local terms energy: -116.645810
where:
bonds (distance) C4'-P energy: -34.493
bonds (distance) P-C4' energy: -24.967
flat angles C4'-P-C4' energy: -25.356
flat angles P-C4'-P energy: -24.005
tors. eta vs tors. theta energy: -7.824
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: 3
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -234.227867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.227867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.227867 (E_RNA)
where:
Base-Base interactions energy: -117.520
where: short stacking energy: -67.791
Base-Backbone interact. energy: -0.201
local terms energy: -116.506803
where:
bonds (distance) C4'-P energy: -33.089
bonds (distance) P-C4' energy: -23.486
flat angles C4'-P-C4' energy: -29.846
flat angles P-C4'-P energy: -19.953
tors. eta vs tors. theta energy: -10.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -244.888020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.888020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.888020 (E_RNA)
where:
Base-Base interactions energy: -121.394
where: short stacking energy: -74.358
Base-Backbone interact. energy: -0.370
local terms energy: -123.124002
where:
bonds (distance) C4'-P energy: -30.400
bonds (distance) P-C4' energy: -37.291
flat angles C4'-P-C4' energy: -26.368
flat angles P-C4'-P energy: -17.996
tors. eta vs tors. theta energy: -11.069
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: 9
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -544.313623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.313623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.313623 (E_RNA)
where:
Base-Base interactions energy: -379.149
where: short stacking energy: -169.259
Base-Backbone interact. energy: 0.196
local terms energy: -165.361230
where:
bonds (distance) C4'-P energy: -31.108
bonds (distance) P-C4' energy: -24.450
flat angles C4'-P-C4' energy: -40.031
flat angles P-C4'-P energy: -25.193
tors. eta vs tors. theta energy: -44.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -513.512049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.512049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.512049 (E_RNA)
where:
Base-Base interactions energy: -355.344
where: short stacking energy: -154.662
Base-Backbone interact. energy: -0.834
local terms energy: -157.333818
where:
bonds (distance) C4'-P energy: -36.515
bonds (distance) P-C4' energy: -27.515
flat angles C4'-P-C4' energy: -30.661
flat angles P-C4'-P energy: -21.687
tors. eta vs tors. theta energy: -40.956
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: 48
Temperature: 1.000000
Total energy: -508.422375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.422375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.422375 (E_RNA)
where:
Base-Base interactions energy: -342.688
where: short stacking energy: -153.091
Base-Backbone interact. energy: -0.503
local terms energy: -165.230601
where:
bonds (distance) C4'-P energy: -35.040
bonds (distance) P-C4' energy: -35.336
flat angles C4'-P-C4' energy: -38.215
flat angles P-C4'-P energy: -23.975
tors. eta vs tors. theta energy: -32.665
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: 8
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -417.618185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.618185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.618185 (E_RNA)
where:
Base-Base interactions energy: -263.239
where: short stacking energy: -134.519
Base-Backbone interact. energy: -0.305
local terms energy: -154.074105
where:
bonds (distance) C4'-P energy: -36.524
bonds (distance) P-C4' energy: -34.663
flat angles C4'-P-C4' energy: -37.136
flat angles P-C4'-P energy: -13.510
tors. eta vs tors. theta energy: -32.241
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: 1
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -377.569767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.569767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.569767 (E_RNA)
where:
Base-Base interactions energy: -248.962
where: short stacking energy: -126.883
Base-Backbone interact. energy: -0.615
local terms energy: -127.992291
where:
bonds (distance) C4'-P energy: -17.660
bonds (distance) P-C4' energy: -38.515
flat angles C4'-P-C4' energy: -26.722
flat angles P-C4'-P energy: -18.683
tors. eta vs tors. theta energy: -26.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -336.589239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.589239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.589239 (E_RNA)
where:
Base-Base interactions energy: -199.926
where: short stacking energy: -114.123
Base-Backbone interact. energy: -0.267
local terms energy: -136.396640
where:
bonds (distance) C4'-P energy: -29.197
bonds (distance) P-C4' energy: -28.427
flat angles C4'-P-C4' energy: -38.407
flat angles P-C4'-P energy: -15.189
tors. eta vs tors. theta energy: -25.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -337.516552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.516552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.516552 (E_RNA)
where:
Base-Base interactions energy: -210.962
where: short stacking energy: -98.722
Base-Backbone interact. energy: -0.912
local terms energy: -125.642507
where:
bonds (distance) C4'-P energy: -32.190
bonds (distance) P-C4' energy: -30.198
flat angles C4'-P-C4' energy: -30.296
flat angles P-C4'-P energy: -14.039
tors. eta vs tors. theta energy: -18.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -236.042103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.042103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.042103 (E_RNA)
where:
Base-Base interactions energy: -135.722
where: short stacking energy: -70.998
Base-Backbone interact. energy: -0.353
local terms energy: -99.967185
where:
bonds (distance) C4'-P energy: -30.972
bonds (distance) P-C4' energy: -25.022
flat angles C4'-P-C4' energy: -25.058
flat angles P-C4'-P energy: -12.959
tors. eta vs tors. theta energy: -5.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -241.185098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.185098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.185098 (E_RNA)
where:
Base-Base interactions energy: -113.187
where: short stacking energy: -71.934
Base-Backbone interact. energy: -0.409
local terms energy: -127.589259
where:
bonds (distance) C4'-P energy: -30.736
bonds (distance) P-C4' energy: -29.152
flat angles C4'-P-C4' energy: -29.384
flat angles P-C4'-P energy: -20.075
tors. eta vs tors. theta energy: -18.242
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: 48
Temperature: 1.350000
Total energy: -228.845363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.845363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.845363 (E_RNA)
where:
Base-Base interactions energy: -122.617
where: short stacking energy: -78.706
Base-Backbone interact. energy: -0.311
local terms energy: -105.918269
where:
bonds (distance) C4'-P energy: -22.337
bonds (distance) P-C4' energy: -36.068
flat angles C4'-P-C4' energy: -30.720
flat angles P-C4'-P energy: -16.832
tors. eta vs tors. theta energy: 0.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -543.331097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.331097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.331097 (E_RNA)
where:
Base-Base interactions energy: -379.158
where: short stacking energy: -172.458
Base-Backbone interact. energy: -1.928
local terms energy: -162.245116
where:
bonds (distance) C4'-P energy: -30.243
bonds (distance) P-C4' energy: -30.515
flat angles C4'-P-C4' energy: -36.876
flat angles P-C4'-P energy: -23.056
tors. eta vs tors. theta energy: -41.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -521.396614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.396614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.396614 (E_RNA)
where:
Base-Base interactions energy: -359.717
where: short stacking energy: -169.838
Base-Backbone interact. energy: -0.330
local terms energy: -161.348747
where:
bonds (distance) C4'-P energy: -31.849
bonds (distance) P-C4' energy: -30.900
flat angles C4'-P-C4' energy: -36.980
flat angles P-C4'-P energy: -19.612
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: 3, replica: 6
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -506.476341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.476341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.476341 (E_RNA)
where:
Base-Base interactions energy: -346.553
where: short stacking energy: -144.574
Base-Backbone interact. energy: -0.014
local terms energy: -159.908808
where:
bonds (distance) C4'-P energy: -28.484
bonds (distance) P-C4' energy: -35.229
flat angles C4'-P-C4' energy: -36.401
flat angles P-C4'-P energy: -26.496
tors. eta vs tors. theta energy: -33.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -402.376717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.376717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.376717 (E_RNA)
where:
Base-Base interactions energy: -247.786
where: short stacking energy: -140.091
Base-Backbone interact. energy: -0.148
local terms energy: -154.442220
where:
bonds (distance) C4'-P energy: -34.029
bonds (distance) P-C4' energy: -32.065
flat angles C4'-P-C4' energy: -37.629
flat angles P-C4'-P energy: -19.024
tors. eta vs tors. theta energy: -31.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -397.037827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.037827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.037827 (E_RNA)
where:
Base-Base interactions energy: -241.609
where: short stacking energy: -137.293
Base-Backbone interact. energy: -0.319
local terms energy: -155.110051
where:
bonds (distance) C4'-P energy: -31.266
bonds (distance) P-C4' energy: -32.536
flat angles C4'-P-C4' energy: -37.722
flat angles P-C4'-P energy: -23.470
tors. eta vs tors. theta energy: -30.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -345.707335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.707335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.707335 (E_RNA)
where:
Base-Base interactions energy: -216.996
where: short stacking energy: -104.535
Base-Backbone interact. energy: -0.737
local terms energy: -127.975143
where:
bonds (distance) C4'-P energy: -30.656
bonds (distance) P-C4' energy: -29.372
flat angles C4'-P-C4' energy: -37.772
flat angles P-C4'-P energy: -16.307
tors. eta vs tors. theta energy: -13.868
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: 49
Temperature: 1.200000
Total energy: -307.041399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.041399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.041399 (E_RNA)
where:
Base-Base interactions energy: -199.211
where: short stacking energy: -88.619
Base-Backbone interact. energy: -0.801
local terms energy: -107.029010
where:
bonds (distance) C4'-P energy: -20.741
bonds (distance) P-C4' energy: -25.574
flat angles C4'-P-C4' energy: -33.745
flat angles P-C4'-P energy: -17.274
tors. eta vs tors. theta energy: -9.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -292.483482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.483482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.483482 (E_RNA)
where:
Base-Base interactions energy: -169.781
where: short stacking energy: -86.631
Base-Backbone interact. energy: -0.521
local terms energy: -122.181903
where:
bonds (distance) C4'-P energy: -33.269
bonds (distance) P-C4' energy: -23.199
flat angles C4'-P-C4' energy: -27.305
flat angles P-C4'-P energy: -18.054
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: 5
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -217.503971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.503971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.503971 (E_RNA)
where:
Base-Base interactions energy: -114.041
where: short stacking energy: -70.770
Base-Backbone interact. energy: -0.178
local terms energy: -103.285132
where:
bonds (distance) C4'-P energy: -33.099
bonds (distance) P-C4' energy: -24.116
flat angles C4'-P-C4' energy: -31.562
flat angles P-C4'-P energy: -7.437
tors. eta vs tors. theta energy: -7.072
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: 49
Temperature: 1.350000
Total energy: -217.817016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.817016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.817016 (E_RNA)
where:
Base-Base interactions energy: -115.574
where: short stacking energy: -72.783
Base-Backbone interact. energy: 1.146
local terms energy: -103.389294
where:
bonds (distance) C4'-P energy: -21.185
bonds (distance) P-C4' energy: -29.052
flat angles C4'-P-C4' energy: -28.921
flat angles P-C4'-P energy: -13.168
tors. eta vs tors. theta energy: -11.064
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: 4
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -528.825960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.825960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.825960 (E_RNA)
where:
Base-Base interactions energy: -360.070
where: short stacking energy: -159.429
Base-Backbone interact. energy: 2.669
local terms energy: -171.425131
where:
bonds (distance) C4'-P energy: -33.878
bonds (distance) P-C4' energy: -37.974
flat angles C4'-P-C4' energy: -34.875
flat angles P-C4'-P energy: -24.600
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: 2, replica: 9
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -519.643681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.643681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.643681 (E_RNA)
where:
Base-Base interactions energy: -366.342
where: short stacking energy: -150.223
Base-Backbone interact. energy: -0.356
local terms energy: -152.945842
where:
bonds (distance) C4'-P energy: -27.403
bonds (distance) P-C4' energy: -30.058
flat angles C4'-P-C4' energy: -27.107
flat angles P-C4'-P energy: -29.773
tors. eta vs tors. theta energy: -38.604
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: 3, replica: 6
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -520.629161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.629161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.629161 (E_RNA)
where:
Base-Base interactions energy: -342.655
where: short stacking energy: -137.371
Base-Backbone interact. energy: -0.381
local terms energy: -177.592601
where:
bonds (distance) C4'-P energy: -33.019
bonds (distance) P-C4' energy: -36.038
flat angles C4'-P-C4' energy: -42.938
flat angles P-C4'-P energy: -29.246
tors. eta vs tors. theta energy: -36.352
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: 1
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -393.981987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.981987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.981987 (E_RNA)
where:
Base-Base interactions energy: -252.182
where: short stacking energy: -139.236
Base-Backbone interact. energy: -0.498
local terms energy: -141.301075
where:
bonds (distance) C4'-P energy: -28.169
bonds (distance) P-C4' energy: -30.685
flat angles C4'-P-C4' energy: -33.310
flat angles P-C4'-P energy: -18.239
tors. eta vs tors. theta energy: -30.898
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: 5, replica: 8
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -415.768642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.768642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.768642 (E_RNA)
where:
Base-Base interactions energy: -260.359
where: short stacking energy: -131.110
Base-Backbone interact. energy: -1.771
local terms energy: -153.639083
where:
bonds (distance) C4'-P energy: -35.064
bonds (distance) P-C4' energy: -37.559
flat angles C4'-P-C4' energy: -36.476
flat angles P-C4'-P energy: -9.559
tors. eta vs tors. theta energy: -34.981
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: 10
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -382.375933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.375933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.375933 (E_RNA)
where:
Base-Base interactions energy: -241.768
where: short stacking energy: -105.104
Base-Backbone interact. energy: -0.496
local terms energy: -140.111223
where:
bonds (distance) C4'-P energy: -34.917
bonds (distance) P-C4' energy: -28.279
flat angles C4'-P-C4' energy: -33.588
flat angles P-C4'-P energy: -23.578
tors. eta vs tors. theta energy: -19.749
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: 50
Temperature: 1.200000
Total energy: -336.800141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.800141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.800141 (E_RNA)
where:
Base-Base interactions energy: -205.830
where: short stacking energy: -110.045
Base-Backbone interact. energy: -0.089
local terms energy: -130.881179
where:
bonds (distance) C4'-P energy: -31.647
bonds (distance) P-C4' energy: -30.175
flat angles C4'-P-C4' energy: -31.485
flat angles P-C4'-P energy: -19.791
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: 8, replica: 2
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -291.764745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.764745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.764745 (E_RNA)
where:
Base-Base interactions energy: -168.636
where: short stacking energy: -93.751
Base-Backbone interact. energy: -0.302
local terms energy: -122.826672
where:
bonds (distance) C4'-P energy: -27.653
bonds (distance) P-C4' energy: -29.821
flat angles C4'-P-C4' energy: -28.323
flat angles P-C4'-P energy: -16.821
tors. eta vs tors. theta energy: -20.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -254.321643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.321643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.321643 (E_RNA)
where:
Base-Base interactions energy: -130.009
where: short stacking energy: -70.581
Base-Backbone interact. energy: -1.361
local terms energy: -122.951597
where:
bonds (distance) C4'-P energy: -31.464
bonds (distance) P-C4' energy: -30.549
flat angles C4'-P-C4' energy: -28.715
flat angles P-C4'-P energy: -23.350
tors. eta vs tors. theta energy: -8.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -215.691635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.691635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.691635 (E_RNA)
where:
Base-Base interactions energy: -110.838
where: short stacking energy: -61.512
Base-Backbone interact. energy: -0.474
local terms energy: -104.379182
where:
bonds (distance) C4'-P energy: -33.036
bonds (distance) P-C4' energy: -27.911
flat angles C4'-P-C4' energy: -26.858
flat angles P-C4'-P energy: -12.428
tors. eta vs tors. theta energy: -4.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -554.444132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.444132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.444132 (E_RNA)
where:
Base-Base interactions energy: -376.153
where: short stacking energy: -160.943
Base-Backbone interact. energy: -1.168
local terms energy: -177.123896
where:
bonds (distance) C4'-P energy: -36.891
bonds (distance) P-C4' energy: -38.020
flat angles C4'-P-C4' energy: -39.031
flat angles P-C4'-P energy: -25.187
tors. eta vs tors. theta energy: -37.995
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: 2, replica: 6
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -531.912890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.912890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.912890 (E_RNA)
where:
Base-Base interactions energy: -369.395
where: short stacking energy: -154.906
Base-Backbone interact. energy: 0.521
local terms energy: -163.039507
where:
bonds (distance) C4'-P energy: -30.967
bonds (distance) P-C4' energy: -34.976
flat angles C4'-P-C4' energy: -32.531
flat angles P-C4'-P energy: -23.721
tors. eta vs tors. theta energy: -40.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -503.733639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.733639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.733639 (E_RNA)
where:
Base-Base interactions energy: -333.388
where: short stacking energy: -162.311
Base-Backbone interact. energy: -2.024
local terms energy: -168.321273
where:
bonds (distance) C4'-P energy: -29.890
bonds (distance) P-C4' energy: -32.306
flat angles C4'-P-C4' energy: -33.191
flat angles P-C4'-P energy: -28.759
tors. eta vs tors. theta energy: -44.175
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: 51
Temperature: 1.050000
Total energy: -435.679877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.679877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.679877 (E_RNA)
where:
Base-Base interactions energy: -286.073
where: short stacking energy: -140.871
Base-Backbone interact. energy: -0.514
local terms energy: -149.092564
where:
bonds (distance) C4'-P energy: -29.330
bonds (distance) P-C4' energy: -32.857
flat angles C4'-P-C4' energy: -28.239
flat angles P-C4'-P energy: -24.209
tors. eta vs tors. theta energy: -34.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -403.532321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.532321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.532321 (E_RNA)
where:
Base-Base interactions energy: -275.327
where: short stacking energy: -129.170
Base-Backbone interact. energy: -1.291
local terms energy: -126.914928
where:
bonds (distance) C4'-P energy: -26.593
bonds (distance) P-C4' energy: -19.131
flat angles C4'-P-C4' energy: -29.352
flat angles P-C4'-P energy: -21.061
tors. eta vs tors. theta energy: -30.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -371.337352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.337352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.337352 (E_RNA)
where:
Base-Base interactions energy: -237.489
where: short stacking energy: -116.349
Base-Backbone interact. energy: -0.740
local terms energy: -133.108796
where:
bonds (distance) C4'-P energy: -24.085
bonds (distance) P-C4' energy: -32.380
flat angles C4'-P-C4' energy: -32.766
flat angles P-C4'-P energy: -17.154
tors. eta vs tors. theta energy: -26.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -332.917173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.917173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.917173 (E_RNA)
where:
Base-Base interactions energy: -214.253
where: short stacking energy: -88.554
Base-Backbone interact. energy: -2.266
local terms energy: -116.398331
where:
bonds (distance) C4'-P energy: -20.670
bonds (distance) P-C4' energy: -30.567
flat angles C4'-P-C4' energy: -26.532
flat angles P-C4'-P energy: -17.550
tors. eta vs tors. theta energy: -21.079
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: 2
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -301.769679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.769679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.769679 (E_RNA)
where:
Base-Base interactions energy: -167.466
where: short stacking energy: -95.895
Base-Backbone interact. energy: -0.227
local terms energy: -134.076912
where:
bonds (distance) C4'-P energy: -25.914
bonds (distance) P-C4' energy: -26.120
flat angles C4'-P-C4' energy: -38.723
flat angles P-C4'-P energy: -24.804
tors. eta vs tors. theta energy: -18.515
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: 9, replica: 3
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -238.854749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.854749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.854749 (E_RNA)
where:
Base-Base interactions energy: -120.808
where: short stacking energy: -60.587
Base-Backbone interact. energy: 2.223
local terms energy: -120.269894
where:
bonds (distance) C4'-P energy: -34.397
bonds (distance) P-C4' energy: -20.191
flat angles C4'-P-C4' energy: -33.054
flat angles P-C4'-P energy: -21.832
tors. eta vs tors. theta energy: -10.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -207.546970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.546970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.546970 (E_RNA)
where:
Base-Base interactions energy: -115.176
where: short stacking energy: -74.038
Base-Backbone interact. energy: 0.263
local terms energy: -92.633667
where:
bonds (distance) C4'-P energy: -28.184
bonds (distance) P-C4' energy: -27.821
flat angles C4'-P-C4' energy: -32.124
flat angles P-C4'-P energy: -7.777
tors. eta vs tors. theta energy: 3.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -543.475274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.475274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.475274 (E_RNA)
where:
Base-Base interactions energy: -372.409
where: short stacking energy: -158.033
Base-Backbone interact. energy: 0.094
local terms energy: -171.161059
where:
bonds (distance) C4'-P energy: -31.186
bonds (distance) P-C4' energy: -36.872
flat angles C4'-P-C4' energy: -35.950
flat angles P-C4'-P energy: -22.750
tors. eta vs tors. theta energy: -44.403
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: 2, replica: 4
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -516.495670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.495670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.495670 (E_RNA)
where:
Base-Base interactions energy: -353.810
where: short stacking energy: -159.069
Base-Backbone interact. energy: -1.308
local terms energy: -161.377332
where:
bonds (distance) C4'-P energy: -36.240
bonds (distance) P-C4' energy: -29.784
flat angles C4'-P-C4' energy: -34.921
flat angles P-C4'-P energy: -20.863
tors. eta vs tors. theta energy: -39.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -522.440151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.440151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.440151 (E_RNA)
where:
Base-Base interactions energy: -355.416
where: short stacking energy: -159.140
Base-Backbone interact. energy: -0.892
local terms energy: -166.132721
where:
bonds (distance) C4'-P energy: -27.720
bonds (distance) P-C4' energy: -37.332
flat angles C4'-P-C4' energy: -38.448
flat angles P-C4'-P energy: -22.483
tors. eta vs tors. theta energy: -40.150
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: 8
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -429.575304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.575304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.575304 (E_RNA)
where:
Base-Base interactions energy: -273.228
where: short stacking energy: -134.861
Base-Backbone interact. energy: -0.124
local terms energy: -156.222422
where:
bonds (distance) C4'-P energy: -32.108
bonds (distance) P-C4' energy: -31.125
flat angles C4'-P-C4' energy: -34.137
flat angles P-C4'-P energy: -21.791
tors. eta vs tors. theta energy: -37.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -439.893512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.893512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.893512 (E_RNA)
where:
Base-Base interactions energy: -281.528
where: short stacking energy: -144.318
Base-Backbone interact. energy: -0.902
local terms energy: -157.463864
where:
bonds (distance) C4'-P energy: -33.001
bonds (distance) P-C4' energy: -24.741
flat angles C4'-P-C4' energy: -38.493
flat angles P-C4'-P energy: -21.358
tors. eta vs tors. theta energy: -39.872
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: 6, replica: 10
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -377.575397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.575397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.575397 (E_RNA)
where:
Base-Base interactions energy: -240.824
where: short stacking energy: -118.584
Base-Backbone interact. energy: -0.495
local terms energy: -136.255731
where:
bonds (distance) C4'-P energy: -24.111
bonds (distance) P-C4' energy: -34.218
flat angles C4'-P-C4' energy: -36.557
flat angles P-C4'-P energy: -15.530
tors. eta vs tors. theta energy: -25.839
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: 7
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -320.798312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.798312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.798312 (E_RNA)
where:
Base-Base interactions energy: -197.233
where: short stacking energy: -94.049
Base-Backbone interact. energy: 0.496
local terms energy: -124.060633
where:
bonds (distance) C4'-P energy: -29.381
bonds (distance) P-C4' energy: -27.387
flat angles C4'-P-C4' energy: -32.403
flat angles P-C4'-P energy: -18.555
tors. eta vs tors. theta energy: -16.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -176.152379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.152379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.152379 (E_RNA)
where:
Base-Base interactions energy: -75.355
where: short stacking energy: -64.858
Base-Backbone interact. energy: 1.832
local terms energy: -102.628901
where:
bonds (distance) C4'-P energy: -31.510
bonds (distance) P-C4' energy: -25.490
flat angles C4'-P-C4' energy: -22.194
flat angles P-C4'-P energy: -18.052
tors. eta vs tors. theta energy: -5.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -226.067725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.067725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.067725 (E_RNA)
where:
Base-Base interactions energy: -120.904
where: short stacking energy: -50.390
Base-Backbone interact. energy: 0.551
local terms energy: -105.714903
where:
bonds (distance) C4'-P energy: -25.973
bonds (distance) P-C4' energy: -27.072
flat angles C4'-P-C4' energy: -27.440
flat angles P-C4'-P energy: -23.562
tors. eta vs tors. theta energy: -1.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -154.367452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.367452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.367452 (E_RNA)
where:
Base-Base interactions energy: -53.101
where: short stacking energy: -51.363
Base-Backbone interact. energy: 0.550
local terms energy: -101.816362
where:
bonds (distance) C4'-P energy: -27.308
bonds (distance) P-C4' energy: -30.113
flat angles C4'-P-C4' energy: -26.361
flat angles P-C4'-P energy: -17.705
tors. eta vs tors. theta energy: -0.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -565.472023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.472023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.472023 (E_RNA)
where:
Base-Base interactions energy: -391.917
where: short stacking energy: -175.784
Base-Backbone interact. energy: -0.077
local terms energy: -173.478020
where:
bonds (distance) C4'-P energy: -33.327
bonds (distance) P-C4' energy: -32.127
flat angles C4'-P-C4' energy: -37.372
flat angles P-C4'-P energy: -23.994
tors. eta vs tors. theta energy: -46.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -508.477084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.477084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.477084 (E_RNA)
where:
Base-Base interactions energy: -331.443
where: short stacking energy: -155.028
Base-Backbone interact. energy: -1.000
local terms energy: -176.033715
where:
bonds (distance) C4'-P energy: -35.085
bonds (distance) P-C4' energy: -37.987
flat angles C4'-P-C4' energy: -34.170
flat angles P-C4'-P energy: -27.703
tors. eta vs tors. theta energy: -41.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -502.791258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.791258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.791258 (E_RNA)
where:
Base-Base interactions energy: -353.060
where: short stacking energy: -153.035
Base-Backbone interact. energy: -0.055
local terms energy: -149.675984
where:
bonds (distance) C4'-P energy: -32.237
bonds (distance) P-C4' energy: -34.735
flat angles C4'-P-C4' energy: -32.404
flat angles P-C4'-P energy: -16.572
tors. eta vs tors. theta energy: -33.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -459.777846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.777846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.777846 (E_RNA)
where:
Base-Base interactions energy: -300.695
where: short stacking energy: -142.289
Base-Backbone interact. energy: -1.433
local terms energy: -157.649863
where:
bonds (distance) C4'-P energy: -29.162
bonds (distance) P-C4' energy: -35.108
flat angles C4'-P-C4' energy: -32.599
flat angles P-C4'-P energy: -23.719
tors. eta vs tors. theta energy: -37.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -429.964435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.964435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.964435 (E_RNA)
where:
Base-Base interactions energy: -280.139
where: short stacking energy: -134.314
Base-Backbone interact. energy: -0.483
local terms energy: -149.341751
where:
bonds (distance) C4'-P energy: -29.412
bonds (distance) P-C4' energy: -33.402
flat angles C4'-P-C4' energy: -36.903
flat angles P-C4'-P energy: -19.591
tors. eta vs tors. theta energy: -30.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -386.757606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.757606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.757606 (E_RNA)
where:
Base-Base interactions energy: -252.775
where: short stacking energy: -117.638
Base-Backbone interact. energy: -1.112
local terms energy: -132.870338
where:
bonds (distance) C4'-P energy: -33.364
bonds (distance) P-C4' energy: -23.638
flat angles C4'-P-C4' energy: -34.231
flat angles P-C4'-P energy: -15.414
tors. eta vs tors. theta energy: -26.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -336.406874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.406874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.406874 (E_RNA)
where:
Base-Base interactions energy: -208.261
where: short stacking energy: -96.683
Base-Backbone interact. energy: -0.288
local terms energy: -127.857494
where:
bonds (distance) C4'-P energy: -38.946
bonds (distance) P-C4' energy: -29.193
flat angles C4'-P-C4' energy: -28.876
flat angles P-C4'-P energy: -12.826
tors. eta vs tors. theta energy: -18.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -240.654982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.654982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.654982 (E_RNA)
where:
Base-Base interactions energy: -131.302
where: short stacking energy: -77.220
Base-Backbone interact. energy: -0.268
local terms energy: -109.084775
where:
bonds (distance) C4'-P energy: -24.349
bonds (distance) P-C4' energy: -31.986
flat angles C4'-P-C4' energy: -16.443
flat angles P-C4'-P energy: -27.065
tors. eta vs tors. theta energy: -9.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -195.898680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.898680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.898680 (E_RNA)
where:
Base-Base interactions energy: -75.789
where: short stacking energy: -52.178
Base-Backbone interact. energy: -1.859
local terms energy: -118.250554
where:
bonds (distance) C4'-P energy: -35.706
bonds (distance) P-C4' energy: -27.484
flat angles C4'-P-C4' energy: -29.123
flat angles P-C4'-P energy: -20.188
tors. eta vs tors. theta energy: -5.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -158.348865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.348865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.348865 (E_RNA)
where:
Base-Base interactions energy: -54.238
where: short stacking energy: -49.625
Base-Backbone interact. energy: 0.445
local terms energy: -104.556580
where:
bonds (distance) C4'-P energy: -29.748
bonds (distance) P-C4' energy: -28.174
flat angles C4'-P-C4' energy: -29.087
flat angles P-C4'-P energy: -17.880
tors. eta vs tors. theta energy: 0.332
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: 6
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -551.205493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.205493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.205493 (E_RNA)
where:
Base-Base interactions energy: -375.464
where: short stacking energy: -164.848
Base-Backbone interact. energy: -0.317
local terms energy: -175.424735
where:
bonds (distance) C4'-P energy: -37.199
bonds (distance) P-C4' energy: -37.146
flat angles C4'-P-C4' energy: -30.333
flat angles P-C4'-P energy: -24.741
tors. eta vs tors. theta energy: -46.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -505.625340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.625340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.625340 (E_RNA)
where:
Base-Base interactions energy: -341.568
where: short stacking energy: -151.919
Base-Backbone interact. energy: -0.861
local terms energy: -163.196026
where:
bonds (distance) C4'-P energy: -33.627
bonds (distance) P-C4' energy: -36.721
flat angles C4'-P-C4' energy: -33.393
flat angles P-C4'-P energy: -22.788
tors. eta vs tors. theta energy: -36.668
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: 3, replica: 4
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -524.419504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.419504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.419504 (E_RNA)
where:
Base-Base interactions energy: -359.242
where: short stacking energy: -155.953
Base-Backbone interact. energy: -0.544
local terms energy: -164.633248
where:
bonds (distance) C4'-P energy: -37.630
bonds (distance) P-C4' energy: -38.958
flat angles C4'-P-C4' energy: -34.591
flat angles P-C4'-P energy: -17.322
tors. eta vs tors. theta energy: -36.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -457.630596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.630596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.630596 (E_RNA)
where:
Base-Base interactions energy: -301.243
where: short stacking energy: -144.597
Base-Backbone interact. energy: -0.873
local terms energy: -155.514070
where:
bonds (distance) C4'-P energy: -32.063
bonds (distance) P-C4' energy: -32.706
flat angles C4'-P-C4' energy: -31.030
flat angles P-C4'-P energy: -24.413
tors. eta vs tors. theta energy: -35.302
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: 5, replica: 10
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -398.262983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.262983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.262983 (E_RNA)
where:
Base-Base interactions energy: -243.291
where: short stacking energy: -122.003
Base-Backbone interact. energy: -1.571
local terms energy: -153.400750
where:
bonds (distance) C4'-P energy: -29.091
bonds (distance) P-C4' energy: -30.512
flat angles C4'-P-C4' energy: -37.349
flat angles P-C4'-P energy: -24.735
tors. eta vs tors. theta energy: -31.714
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: 8
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -398.139302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.139302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.139302 (E_RNA)
where:
Base-Base interactions energy: -249.783
where: short stacking energy: -125.672
Base-Backbone interact. energy: -0.101
local terms energy: -148.255749
where:
bonds (distance) C4'-P energy: -31.878
bonds (distance) P-C4' energy: -31.535
flat angles C4'-P-C4' energy: -32.507
flat angles P-C4'-P energy: -23.579
tors. eta vs tors. theta energy: -28.756
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: 7, replica: 7
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -329.264687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.264687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.264687 (E_RNA)
where:
Base-Base interactions energy: -192.592
where: short stacking energy: -99.362
Base-Backbone interact. energy: -0.322
local terms energy: -136.350367
where:
bonds (distance) C4'-P energy: -33.168
bonds (distance) P-C4' energy: -38.673
flat angles C4'-P-C4' energy: -24.690
flat angles P-C4'-P energy: -21.295
tors. eta vs tors. theta energy: -18.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -255.235992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.235992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.235992 (E_RNA)
where:
Base-Base interactions energy: -140.739
where: short stacking energy: -88.639
Base-Backbone interact. energy: -0.566
local terms energy: -113.930999
where:
bonds (distance) C4'-P energy: -33.139
bonds (distance) P-C4' energy: -37.341
flat angles C4'-P-C4' energy: -14.416
flat angles P-C4'-P energy: -19.114
tors. eta vs tors. theta energy: -9.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -206.863858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.863858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.863858 (E_RNA)
where:
Base-Base interactions energy: -90.677
where: short stacking energy: -55.155
Base-Backbone interact. energy: -1.194
local terms energy: -114.993038
where:
bonds (distance) C4'-P energy: -20.014
bonds (distance) P-C4' energy: -30.034
flat angles C4'-P-C4' energy: -35.359
flat angles P-C4'-P energy: -20.959
tors. eta vs tors. theta energy: -8.627
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: 5
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -154.531422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.531422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.531422 (E_RNA)
where:
Base-Base interactions energy: -40.982
where: short stacking energy: -40.982
Base-Backbone interact. energy: -0.101
local terms energy: -113.448109
where:
bonds (distance) C4'-P energy: -33.922
bonds (distance) P-C4' energy: -31.160
flat angles C4'-P-C4' energy: -28.488
flat angles P-C4'-P energy: -15.357
tors. eta vs tors. theta energy: -4.520
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: 6
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -548.962900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.962900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.962900 (E_RNA)
where:
Base-Base interactions energy: -369.957
where: short stacking energy: -165.017
Base-Backbone interact. energy: -0.996
local terms energy: -178.010013
where:
bonds (distance) C4'-P energy: -35.748
bonds (distance) P-C4' energy: -30.996
flat angles C4'-P-C4' energy: -37.561
flat angles P-C4'-P energy: -28.685
tors. eta vs tors. theta energy: -45.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -515.000858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.000858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.000858 (E_RNA)
where:
Base-Base interactions energy: -351.221
where: short stacking energy: -169.117
Base-Backbone interact. energy: -0.150
local terms energy: -163.629777
where:
bonds (distance) C4'-P energy: -35.065
bonds (distance) P-C4' energy: -29.204
flat angles C4'-P-C4' energy: -33.167
flat angles P-C4'-P energy: -23.731
tors. eta vs tors. theta energy: -42.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -491.743616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.743616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.743616 (E_RNA)
where:
Base-Base interactions energy: -326.422
where: short stacking energy: -153.563
Base-Backbone interact. energy: 0.268
local terms energy: -165.589691
where:
bonds (distance) C4'-P energy: -37.307
bonds (distance) P-C4' energy: -34.810
flat angles C4'-P-C4' energy: -36.777
flat angles P-C4'-P energy: -21.538
tors. eta vs tors. theta energy: -35.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -449.324851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.324851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.324851 (E_RNA)
where:
Base-Base interactions energy: -291.523
where: short stacking energy: -134.304
Base-Backbone interact. energy: -1.593
local terms energy: -156.209296
where:
bonds (distance) C4'-P energy: -33.834
bonds (distance) P-C4' energy: -34.379
flat angles C4'-P-C4' energy: -36.480
flat angles P-C4'-P energy: -22.016
tors. eta vs tors. theta energy: -29.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -403.898511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.898511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.898511 (E_RNA)
where:
Base-Base interactions energy: -252.856
where: short stacking energy: -129.329
Base-Backbone interact. energy: -0.043
local terms energy: -150.999261
where:
bonds (distance) C4'-P energy: -26.611
bonds (distance) P-C4' energy: -31.849
flat angles C4'-P-C4' energy: -36.088
flat angles P-C4'-P energy: -23.213
tors. eta vs tors. theta energy: -33.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -389.587108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.587108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.587108 (E_RNA)
where:
Base-Base interactions energy: -241.882
where: short stacking energy: -113.363
Base-Backbone interact. energy: -0.847
local terms energy: -146.858285
where:
bonds (distance) C4'-P energy: -30.643
bonds (distance) P-C4' energy: -35.227
flat angles C4'-P-C4' energy: -34.012
flat angles P-C4'-P energy: -22.170
tors. eta vs tors. theta energy: -24.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -347.888551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.888551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.888551 (E_RNA)
where:
Base-Base interactions energy: -218.160
where: short stacking energy: -95.551
Base-Backbone interact. energy: -0.292
local terms energy: -129.436855
where:
bonds (distance) C4'-P energy: -33.221
bonds (distance) P-C4' energy: -30.237
flat angles C4'-P-C4' energy: -29.056
flat angles P-C4'-P energy: -19.255
tors. eta vs tors. theta energy: -17.668
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: 3
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -261.330860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.330860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.330860 (E_RNA)
where:
Base-Base interactions energy: -135.016
where: short stacking energy: -88.161
Base-Backbone interact. energy: -0.185
local terms energy: -126.129755
where:
bonds (distance) C4'-P energy: -26.744
bonds (distance) P-C4' energy: -33.442
flat angles C4'-P-C4' energy: -31.064
flat angles P-C4'-P energy: -18.670
tors. eta vs tors. theta energy: -16.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -161.426994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.426994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.426994 (E_RNA)
where:
Base-Base interactions energy: -50.646
where: short stacking energy: -50.993
Base-Backbone interact. energy: -0.834
local terms energy: -109.946888
where:
bonds (distance) C4'-P energy: -26.751
bonds (distance) P-C4' energy: -35.126
flat angles C4'-P-C4' energy: -28.368
flat angles P-C4'-P energy: -24.263
tors. eta vs tors. theta energy: 4.562
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: 5
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -163.118139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.118139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.118139 (E_RNA)
where:
Base-Base interactions energy: -65.687
where: short stacking energy: -55.147
Base-Backbone interact. energy: -0.704
local terms energy: -96.727129
where:
bonds (distance) C4'-P energy: -25.810
bonds (distance) P-C4' energy: -23.754
flat angles C4'-P-C4' energy: -24.056
flat angles P-C4'-P energy: -16.272
tors. eta vs tors. theta energy: -6.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -549.998807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.998807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.998807 (E_RNA)
where:
Base-Base interactions energy: -374.659
where: short stacking energy: -180.515
Base-Backbone interact. energy: -0.433
local terms energy: -174.906761
where:
bonds (distance) C4'-P energy: -34.527
bonds (distance) P-C4' energy: -35.609
flat angles C4'-P-C4' energy: -36.928
flat angles P-C4'-P energy: -24.453
tors. eta vs tors. theta energy: -43.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -546.990045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.990045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.990045 (E_RNA)
where:
Base-Base interactions energy: -373.340
where: short stacking energy: -163.118
Base-Backbone interact. energy: -0.773
local terms energy: -172.877434
where:
bonds (distance) C4'-P energy: -35.286
bonds (distance) P-C4' energy: -34.657
flat angles C4'-P-C4' energy: -35.756
flat angles P-C4'-P energy: -26.269
tors. eta vs tors. theta energy: -40.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -499.101520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.101520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.101520 (E_RNA)
where:
Base-Base interactions energy: -347.676
where: short stacking energy: -160.690
Base-Backbone interact. energy: 5.571
local terms energy: -156.996324
where:
bonds (distance) C4'-P energy: -29.170
bonds (distance) P-C4' energy: -31.671
flat angles C4'-P-C4' energy: -33.956
flat angles P-C4'-P energy: -30.490
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: 4, replica: 1
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -451.702441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.702441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.702441 (E_RNA)
where:
Base-Base interactions energy: -290.112
where: short stacking energy: -128.446
Base-Backbone interact. energy: -0.585
local terms energy: -161.005576
where:
bonds (distance) C4'-P energy: -37.690
bonds (distance) P-C4' energy: -35.875
flat angles C4'-P-C4' energy: -33.209
flat angles P-C4'-P energy: -29.735
tors. eta vs tors. theta energy: -24.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -408.765142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.765142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.765142 (E_RNA)
where:
Base-Base interactions energy: -267.780
where: short stacking energy: -122.073
Base-Backbone interact. energy: -0.335
local terms energy: -140.649700
where:
bonds (distance) C4'-P energy: -27.678
bonds (distance) P-C4' energy: -37.883
flat angles C4'-P-C4' energy: -32.998
flat angles P-C4'-P energy: -18.165
tors. eta vs tors. theta energy: -23.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -377.923073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.923073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.923073 (E_RNA)
where:
Base-Base interactions energy: -245.561
where: short stacking energy: -128.125
Base-Backbone interact. energy: -1.920
local terms energy: -130.442194
where:
bonds (distance) C4'-P energy: -26.451
bonds (distance) P-C4' energy: -25.906
flat angles C4'-P-C4' energy: -33.658
flat angles P-C4'-P energy: -17.939
tors. eta vs tors. theta energy: -26.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -260.627664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.627664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.627664 (E_RNA)
where:
Base-Base interactions energy: -137.154
where: short stacking energy: -86.937
Base-Backbone interact. energy: -0.478
local terms energy: -122.996503
where:
bonds (distance) C4'-P energy: -26.213
bonds (distance) P-C4' energy: -35.294
flat angles C4'-P-C4' energy: -32.710
flat angles P-C4'-P energy: -15.578
tors. eta vs tors. theta energy: -13.202
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: 7
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -322.278245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.278245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.278245 (E_RNA)
where:
Base-Base interactions energy: -202.980
where: short stacking energy: -87.123
Base-Backbone interact. energy: -0.312
local terms energy: -118.986690
where:
bonds (distance) C4'-P energy: -25.679
bonds (distance) P-C4' energy: -32.571
flat angles C4'-P-C4' energy: -32.641
flat angles P-C4'-P energy: -17.371
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: 9, replica: 5
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -244.702186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.702186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.702186 (E_RNA)
where:
Base-Base interactions energy: -145.028
where: short stacking energy: -75.565
Base-Backbone interact. energy: 0.260
local terms energy: -99.933253
where:
bonds (distance) C4'-P energy: -18.454
bonds (distance) P-C4' energy: -37.117
flat angles C4'-P-C4' energy: -16.556
flat angles P-C4'-P energy: -17.917
tors. eta vs tors. theta energy: -9.889
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: 2
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -150.207640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.207640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.207640 (E_RNA)
where:
Base-Base interactions energy: -56.340
where: short stacking energy: -54.500
Base-Backbone interact. energy: -0.360
local terms energy: -93.506990
where:
bonds (distance) C4'-P energy: -30.614
bonds (distance) P-C4' energy: -27.567
flat angles C4'-P-C4' energy: -14.525
flat angles P-C4'-P energy: -16.707
tors. eta vs tors. theta energy: -4.094
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: 9
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -546.488221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.488221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.488221 (E_RNA)
where:
Base-Base interactions energy: -369.615
where: short stacking energy: -175.777
Base-Backbone interact. energy: -0.678
local terms energy: -176.195100
where:
bonds (distance) C4'-P energy: -32.691
bonds (distance) P-C4' energy: -34.349
flat angles C4'-P-C4' energy: -36.620
flat angles P-C4'-P energy: -26.246
tors. eta vs tors. theta energy: -46.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -537.136970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.136970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.136970 (E_RNA)
where:
Base-Base interactions energy: -360.477
where: short stacking energy: -165.739
Base-Backbone interact. energy: 2.008
local terms energy: -178.667993
where:
bonds (distance) C4'-P energy: -35.223
bonds (distance) P-C4' energy: -36.913
flat angles C4'-P-C4' energy: -40.307
flat angles P-C4'-P energy: -23.611
tors. eta vs tors. theta energy: -42.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -487.699262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.699262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.699262 (E_RNA)
where:
Base-Base interactions energy: -334.462
where: short stacking energy: -149.497
Base-Backbone interact. energy: -0.446
local terms energy: -152.790734
where:
bonds (distance) C4'-P energy: -29.503
bonds (distance) P-C4' energy: -32.546
flat angles C4'-P-C4' energy: -35.091
flat angles P-C4'-P energy: -25.424
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: 4, replica: 8
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -414.445820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.445820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.445820 (E_RNA)
where:
Base-Base interactions energy: -270.861
where: short stacking energy: -143.847
Base-Backbone interact. energy: 1.048
local terms energy: -144.632186
where:
bonds (distance) C4'-P energy: -28.423
bonds (distance) P-C4' energy: -34.098
flat angles C4'-P-C4' energy: -35.013
flat angles P-C4'-P energy: -14.632
tors. eta vs tors. theta energy: -32.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -396.048126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.048126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.048126 (E_RNA)
where:
Base-Base interactions energy: -261.791
where: short stacking energy: -109.858
Base-Backbone interact. energy: 1.109
local terms energy: -135.365847
where:
bonds (distance) C4'-P energy: -34.935
bonds (distance) P-C4' energy: -30.378
flat angles C4'-P-C4' energy: -25.732
flat angles P-C4'-P energy: -25.477
tors. eta vs tors. theta energy: -18.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -397.080100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.080100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.080100 (E_RNA)
where:
Base-Base interactions energy: -260.177
where: short stacking energy: -138.696
Base-Backbone interact. energy: 0.538
local terms energy: -137.441350
where:
bonds (distance) C4'-P energy: -20.045
bonds (distance) P-C4' energy: -32.507
flat angles C4'-P-C4' energy: -33.810
flat angles P-C4'-P energy: -24.770
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: 7, replica: 3
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -277.577770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.577770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.577770 (E_RNA)
where:
Base-Base interactions energy: -153.188
where: short stacking energy: -93.377
Base-Backbone interact. energy: 0.858
local terms energy: -125.247860
where:
bonds (distance) C4'-P energy: -31.532
bonds (distance) P-C4' energy: -26.236
flat angles C4'-P-C4' energy: -41.074
flat angles P-C4'-P energy: -11.360
tors. eta vs tors. theta energy: -15.046
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: 8, replica: 5
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -251.607038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.607038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.607038 (E_RNA)
where:
Base-Base interactions energy: -131.879
where: short stacking energy: -68.912
Base-Backbone interact. energy: -0.074
local terms energy: -119.653454
where:
bonds (distance) C4'-P energy: -30.124
bonds (distance) P-C4' energy: -33.436
flat angles C4'-P-C4' energy: -30.290
flat angles P-C4'-P energy: -18.588
tors. eta vs tors. theta energy: -7.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -289.606722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.606722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.606722 (E_RNA)
where:
Base-Base interactions energy: -185.730
where: short stacking energy: -97.969
Base-Backbone interact. energy: 0.471
local terms energy: -104.348443
where:
bonds (distance) C4'-P energy: -29.524
bonds (distance) P-C4' energy: -24.405
flat angles C4'-P-C4' energy: -26.019
flat angles P-C4'-P energy: -15.960
tors. eta vs tors. theta energy: -8.441
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: 10, replica: 2
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -174.496248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.496248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.496248 (E_RNA)
where:
Base-Base interactions energy: -95.591
where: short stacking energy: -55.879
Base-Backbone interact. energy: -0.668
local terms energy: -78.237942
where:
bonds (distance) C4'-P energy: -25.119
bonds (distance) P-C4' energy: -20.455
flat angles C4'-P-C4' energy: -18.169
flat angles P-C4'-P energy: -18.826
tors. eta vs tors. theta energy: 4.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -548.887501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.887501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.887501 (E_RNA)
where:
Base-Base interactions energy: -373.197
where: short stacking energy: -180.508
Base-Backbone interact. energy: 0.165
local terms energy: -175.855779
where:
bonds (distance) C4'-P energy: -32.983
bonds (distance) P-C4' energy: -30.043
flat angles C4'-P-C4' energy: -38.582
flat angles P-C4'-P energy: -26.209
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: 2, replica: 9
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -532.644444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.644444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.644444 (E_RNA)
where:
Base-Base interactions energy: -375.070
where: short stacking energy: -168.029
Base-Backbone interact. energy: -0.987
local terms energy: -156.586990
where:
bonds (distance) C4'-P energy: -37.135
bonds (distance) P-C4' energy: -27.690
flat angles C4'-P-C4' energy: -32.699
flat angles P-C4'-P energy: -19.455
tors. eta vs tors. theta energy: -39.608
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: 4
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -501.367759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.367759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.367759 (E_RNA)
where:
Base-Base interactions energy: -342.014
where: short stacking energy: -146.329
Base-Backbone interact. energy: -1.560
local terms energy: -157.793241
where:
bonds (distance) C4'-P energy: -31.680
bonds (distance) P-C4' energy: -38.428
flat angles C4'-P-C4' energy: -34.101
flat angles P-C4'-P energy: -21.068
tors. eta vs tors. theta energy: -32.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -428.372618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.372618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.372618 (E_RNA)
where:
Base-Base interactions energy: -278.556
where: short stacking energy: -140.292
Base-Backbone interact. energy: -0.544
local terms energy: -149.272694
where:
bonds (distance) C4'-P energy: -34.619
bonds (distance) P-C4' energy: -31.316
flat angles C4'-P-C4' energy: -33.737
flat angles P-C4'-P energy: -15.469
tors. eta vs tors. theta energy: -34.132
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: 10
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -421.674286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.674286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.674286 (E_RNA)
where:
Base-Base interactions energy: -267.816
where: short stacking energy: -119.543
Base-Backbone interact. energy: -0.178
local terms energy: -153.680907
where:
bonds (distance) C4'-P energy: -27.336
bonds (distance) P-C4' energy: -38.663
flat angles C4'-P-C4' energy: -34.459
flat angles P-C4'-P energy: -18.549
tors. eta vs tors. theta energy: -34.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -393.345109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.345109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.345109 (E_RNA)
where:
Base-Base interactions energy: -258.301
where: short stacking energy: -119.388
Base-Backbone interact. energy: 0.577
local terms energy: -135.620623
where:
bonds (distance) C4'-P energy: -30.515
bonds (distance) P-C4' energy: -32.121
flat angles C4'-P-C4' energy: -34.543
flat angles P-C4'-P energy: -12.031
tors. eta vs tors. theta energy: -26.411
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: 5
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -282.787125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.787125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.787125 (E_RNA)
where:
Base-Base interactions energy: -176.371
where: short stacking energy: -81.370
Base-Backbone interact. energy: 1.532
local terms energy: -107.947699
where:
bonds (distance) C4'-P energy: -24.154
bonds (distance) P-C4' energy: -30.663
flat angles C4'-P-C4' energy: -27.168
flat angles P-C4'-P energy: -20.385
tors. eta vs tors. theta energy: -5.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -269.608708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.608708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.608708 (E_RNA)
where:
Base-Base interactions energy: -150.251
where: short stacking energy: -89.744
Base-Backbone interact. energy: 0.701
local terms energy: -120.059364
where:
bonds (distance) C4'-P energy: -25.835
bonds (distance) P-C4' energy: -30.315
flat angles C4'-P-C4' energy: -24.253
flat angles P-C4'-P energy: -24.788
tors. eta vs tors. theta energy: -14.869
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: 7
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -319.654539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.654539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.654539 (E_RNA)
where:
Base-Base interactions energy: -199.140
where: short stacking energy: -88.862
Base-Backbone interact. energy: -1.360
local terms energy: -119.155007
where:
bonds (distance) C4'-P energy: -28.346
bonds (distance) P-C4' energy: -35.943
flat angles C4'-P-C4' energy: -31.881
flat angles P-C4'-P energy: -14.577
tors. eta vs tors. theta energy: -8.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -157.658581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.658581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.658581 (E_RNA)
where:
Base-Base interactions energy: -55.215
where: short stacking energy: -40.907
Base-Backbone interact. energy: 0.789
local terms energy: -103.233005
where:
bonds (distance) C4'-P energy: -28.880
bonds (distance) P-C4' energy: -35.187
flat angles C4'-P-C4' energy: -21.698
flat angles P-C4'-P energy: -15.491
tors. eta vs tors. theta energy: -1.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -549.266574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.266574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.266574 (E_RNA)
where:
Base-Base interactions energy: -366.324
where: short stacking energy: -166.544
Base-Backbone interact. energy: -1.050
local terms energy: -181.891836
where:
bonds (distance) C4'-P energy: -36.498
bonds (distance) P-C4' energy: -36.053
flat angles C4'-P-C4' energy: -40.658
flat angles P-C4'-P energy: -23.607
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: 2, replica: 9
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -533.228026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.228026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.228026 (E_RNA)
where:
Base-Base interactions energy: -366.029
where: short stacking energy: -168.058
Base-Backbone interact. energy: -0.274
local terms energy: -166.924727
where:
bonds (distance) C4'-P energy: -30.167
bonds (distance) P-C4' energy: -36.610
flat angles C4'-P-C4' energy: -34.595
flat angles P-C4'-P energy: -21.356
tors. eta vs tors. theta energy: -44.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -496.597134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.597134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.597134 (E_RNA)
where:
Base-Base interactions energy: -348.360
where: short stacking energy: -153.247
Base-Backbone interact. energy: -0.545
local terms energy: -147.692064
where:
bonds (distance) C4'-P energy: -24.793
bonds (distance) P-C4' energy: -38.834
flat angles C4'-P-C4' energy: -32.483
flat angles P-C4'-P energy: -18.505
tors. eta vs tors. theta energy: -33.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -434.983940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.983940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.983940 (E_RNA)
where:
Base-Base interactions energy: -273.530
where: short stacking energy: -143.786
Base-Backbone interact. energy: -0.668
local terms energy: -160.785660
where:
bonds (distance) C4'-P energy: -37.037
bonds (distance) P-C4' energy: -31.548
flat angles C4'-P-C4' energy: -27.650
flat angles P-C4'-P energy: -23.910
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: 5, replica: 10
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -419.256325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.256325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.256325 (E_RNA)
where:
Base-Base interactions energy: -265.463
where: short stacking energy: -130.145
Base-Backbone interact. energy: -0.100
local terms energy: -153.693871
where:
bonds (distance) C4'-P energy: -33.401
bonds (distance) P-C4' energy: -35.872
flat angles C4'-P-C4' energy: -36.330
flat angles P-C4'-P energy: -17.854
tors. eta vs tors. theta energy: -30.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -399.780128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.780128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.780128 (E_RNA)
where:
Base-Base interactions energy: -260.010
where: short stacking energy: -119.650
Base-Backbone interact. energy: -0.816
local terms energy: -138.954102
where:
bonds (distance) C4'-P energy: -27.375
bonds (distance) P-C4' energy: -31.473
flat angles C4'-P-C4' energy: -31.793
flat angles P-C4'-P energy: -16.816
tors. eta vs tors. theta energy: -31.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -314.108196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.108196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.108196 (E_RNA)
where:
Base-Base interactions energy: -191.379
where: short stacking energy: -97.517
Base-Backbone interact. energy: 2.120
local terms energy: -124.848744
where:
bonds (distance) C4'-P energy: -27.952
bonds (distance) P-C4' energy: -37.285
flat angles C4'-P-C4' energy: -30.548
flat angles P-C4'-P energy: -19.961
tors. eta vs tors. theta energy: -9.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -320.752601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.752601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.752601 (E_RNA)
where:
Base-Base interactions energy: -196.661
where: short stacking energy: -84.615
Base-Backbone interact. energy: -2.154
local terms energy: -121.937994
where:
bonds (distance) C4'-P energy: -31.111
bonds (distance) P-C4' energy: -33.745
flat angles C4'-P-C4' energy: -29.939
flat angles P-C4'-P energy: -15.635
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: 9, replica: 3
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -247.073924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.073924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.073924 (E_RNA)
where:
Base-Base interactions energy: -121.105
where: short stacking energy: -78.266
Base-Backbone interact. energy: 2.538
local terms energy: -128.506162
where:
bonds (distance) C4'-P energy: -26.951
bonds (distance) P-C4' energy: -37.318
flat angles C4'-P-C4' energy: -32.296
flat angles P-C4'-P energy: -21.344
tors. eta vs tors. theta energy: -10.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -160.472517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.472517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.472517 (E_RNA)
where:
Base-Base interactions energy: -66.416
where: short stacking energy: -62.638
Base-Backbone interact. energy: -0.292
local terms energy: -93.764251
where:
bonds (distance) C4'-P energy: -23.786
bonds (distance) P-C4' energy: -20.806
flat angles C4'-P-C4' energy: -27.464
flat angles P-C4'-P energy: -21.289
tors. eta vs tors. theta energy: -0.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -546.842950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.842950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.842950 (E_RNA)
where:
Base-Base interactions energy: -368.950
where: short stacking energy: -172.364
Base-Backbone interact. energy: -0.456
local terms energy: -177.436626
where:
bonds (distance) C4'-P energy: -33.638
bonds (distance) P-C4' energy: -35.044
flat angles C4'-P-C4' energy: -35.479
flat angles P-C4'-P energy: -29.488
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: 2, replica: 9
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -522.566427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.566427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.566427 (E_RNA)
where:
Base-Base interactions energy: -351.272
where: short stacking energy: -148.087
Base-Backbone interact. energy: -0.477
local terms energy: -170.817271
where:
bonds (distance) C4'-P energy: -31.569
bonds (distance) P-C4' energy: -32.075
flat angles C4'-P-C4' energy: -40.257
flat angles P-C4'-P energy: -26.492
tors. eta vs tors. theta energy: -40.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -458.385789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.385789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.385789 (E_RNA)
where:
Base-Base interactions energy: -282.359
where: short stacking energy: -159.299
Base-Backbone interact. energy: -0.484
local terms energy: -175.542650
where:
bonds (distance) C4'-P energy: -31.542
bonds (distance) P-C4' energy: -34.700
flat angles C4'-P-C4' energy: -31.357
flat angles P-C4'-P energy: -29.820
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: 4
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -478.189091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.189091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.189091 (E_RNA)
where:
Base-Base interactions energy: -330.697
where: short stacking energy: -139.470
Base-Backbone interact. energy: -0.042
local terms energy: -147.449854
where:
bonds (distance) C4'-P energy: -30.899
bonds (distance) P-C4' energy: -30.937
flat angles C4'-P-C4' energy: -36.151
flat angles P-C4'-P energy: -20.080
tors. eta vs tors. theta energy: -29.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -435.837426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.837426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.837426 (E_RNA)
where:
Base-Base interactions energy: -276.264
where: short stacking energy: -136.327
Base-Backbone interact. energy: -0.342
local terms energy: -159.231932
where:
bonds (distance) C4'-P energy: -32.580
bonds (distance) P-C4' energy: -37.486
flat angles C4'-P-C4' energy: -31.277
flat angles P-C4'-P energy: -24.849
tors. eta vs tors. theta energy: -33.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -381.984991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.984991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.984991 (E_RNA)
where:
Base-Base interactions energy: -246.438
where: short stacking energy: -133.035
Base-Backbone interact. energy: -0.070
local terms energy: -135.477274
where:
bonds (distance) C4'-P energy: -32.962
bonds (distance) P-C4' energy: -25.078
flat angles C4'-P-C4' energy: -34.490
flat angles P-C4'-P energy: -17.283
tors. eta vs tors. theta energy: -25.664
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: 7
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -318.203405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.203405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.203405 (E_RNA)
where:
Base-Base interactions energy: -190.869
where: short stacking energy: -106.076
Base-Backbone interact. energy: -0.447
local terms energy: -126.887787
where:
bonds (distance) C4'-P energy: -28.702
bonds (distance) P-C4' energy: -27.546
flat angles C4'-P-C4' energy: -38.058
flat angles P-C4'-P energy: -9.799
tors. eta vs tors. theta energy: -22.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -329.159659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.159659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.159659 (E_RNA)
where:
Base-Base interactions energy: -220.334
where: short stacking energy: -88.776
Base-Backbone interact. energy: -0.705
local terms energy: -108.119940
where:
bonds (distance) C4'-P energy: -24.176
bonds (distance) P-C4' energy: -26.677
flat angles C4'-P-C4' energy: -32.300
flat angles P-C4'-P energy: -15.596
tors. eta vs tors. theta energy: -9.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -242.156377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.156377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.156377 (E_RNA)
where:
Base-Base interactions energy: -132.565
where: short stacking energy: -84.564
Base-Backbone interact. energy: -0.246
local terms energy: -109.345231
where:
bonds (distance) C4'-P energy: -30.090
bonds (distance) P-C4' energy: -27.860
flat angles C4'-P-C4' energy: -29.930
flat angles P-C4'-P energy: -13.013
tors. eta vs tors. theta energy: -8.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -162.415919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.415919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.415919 (E_RNA)
where:
Base-Base interactions energy: -58.102
where: short stacking energy: -52.095
Base-Backbone interact. energy: -0.309
local terms energy: -104.005082
where:
bonds (distance) C4'-P energy: -30.034
bonds (distance) P-C4' energy: -33.778
flat angles C4'-P-C4' energy: -24.115
flat angles P-C4'-P energy: -15.471
tors. eta vs tors. theta energy: -0.606
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: 6
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -544.156117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.156117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.156117 (E_RNA)
where:
Base-Base interactions energy: -364.867
where: short stacking energy: -169.182
Base-Backbone interact. energy: -1.171
local terms energy: -178.118737
where:
bonds (distance) C4'-P energy: -38.307
bonds (distance) P-C4' energy: -37.393
flat angles C4'-P-C4' energy: -35.596
flat angles P-C4'-P energy: -23.853
tors. eta vs tors. theta energy: -42.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -548.223327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.223327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.223327 (E_RNA)
where:
Base-Base interactions energy: -375.945
where: short stacking energy: -172.490
Base-Backbone interact. energy: -1.373
local terms energy: -170.905257
where:
bonds (distance) C4'-P energy: -30.898
bonds (distance) P-C4' energy: -34.572
flat angles C4'-P-C4' energy: -36.297
flat angles P-C4'-P energy: -23.277
tors. eta vs tors. theta energy: -45.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -413.744203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.744203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.744203 (E_RNA)
where:
Base-Base interactions energy: -246.998
where: short stacking energy: -131.552
Base-Backbone interact. energy: -0.037
local terms energy: -166.709343
where:
bonds (distance) C4'-P energy: -36.842
bonds (distance) P-C4' energy: -35.004
flat angles C4'-P-C4' energy: -34.753
flat angles P-C4'-P energy: -25.370
tors. eta vs tors. theta energy: -34.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -480.123587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.123587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.123587 (E_RNA)
where:
Base-Base interactions energy: -333.310
where: short stacking energy: -151.873
Base-Backbone interact. energy: -0.836
local terms energy: -145.977573
where:
bonds (distance) C4'-P energy: -25.655
bonds (distance) P-C4' energy: -29.114
flat angles C4'-P-C4' energy: -34.879
flat angles P-C4'-P energy: -24.865
tors. eta vs tors. theta energy: -31.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -447.324206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.324206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.324206 (E_RNA)
where:
Base-Base interactions energy: -285.358
where: short stacking energy: -131.965
Base-Backbone interact. energy: -0.540
local terms energy: -161.426575
where:
bonds (distance) C4'-P energy: -32.851
bonds (distance) P-C4' energy: -30.473
flat angles C4'-P-C4' energy: -34.467
flat angles P-C4'-P energy: -30.359
tors. eta vs tors. theta energy: -33.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -380.364888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.364888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.364888 (E_RNA)
where:
Base-Base interactions energy: -241.742
where: short stacking energy: -138.874
Base-Backbone interact. energy: 0.124
local terms energy: -138.746860
where:
bonds (distance) C4'-P energy: -31.673
bonds (distance) P-C4' energy: -25.709
flat angles C4'-P-C4' energy: -29.639
flat angles P-C4'-P energy: -19.837
tors. eta vs tors. theta energy: -31.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -332.661367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.661367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.661367 (E_RNA)
where:
Base-Base interactions energy: -205.150
where: short stacking energy: -110.865
Base-Backbone interact. energy: 1.180
local terms energy: -128.692204
where:
bonds (distance) C4'-P energy: -24.075
bonds (distance) P-C4' energy: -31.204
flat angles C4'-P-C4' energy: -25.615
flat angles P-C4'-P energy: -24.075
tors. eta vs tors. theta energy: -23.723
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: 3
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -264.217729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.217729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.217729 (E_RNA)
where:
Base-Base interactions energy: -135.179
where: short stacking energy: -87.470
Base-Backbone interact. energy: 0.246
local terms energy: -129.284378
where:
bonds (distance) C4'-P energy: -32.130
bonds (distance) P-C4' energy: -34.030
flat angles C4'-P-C4' energy: -26.291
flat angles P-C4'-P energy: -19.356
tors. eta vs tors. theta energy: -17.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -287.484758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.484758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.484758 (E_RNA)
where:
Base-Base interactions energy: -170.078
where: short stacking energy: -74.702
Base-Backbone interact. energy: -1.381
local terms energy: -116.026492
where:
bonds (distance) C4'-P energy: -32.008
bonds (distance) P-C4' energy: -28.632
flat angles C4'-P-C4' energy: -21.736
flat angles P-C4'-P energy: -23.693
tors. eta vs tors. theta energy: -9.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -207.160715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.160715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.160715 (E_RNA)
where:
Base-Base interactions energy: -104.669
where: short stacking energy: -57.588
Base-Backbone interact. energy: 0.352
local terms energy: -102.844169
where:
bonds (distance) C4'-P energy: -30.098
bonds (distance) P-C4' energy: -20.583
flat angles C4'-P-C4' energy: -23.757
flat angles P-C4'-P energy: -19.800
tors. eta vs tors. theta energy: -8.606
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: 9
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -535.810994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.810994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.810994 (E_RNA)
where:
Base-Base interactions energy: -358.883
where: short stacking energy: -169.336
Base-Backbone interact. energy: 0.599
local terms energy: -177.527137
where:
bonds (distance) C4'-P energy: -35.384
bonds (distance) P-C4' energy: -34.234
flat angles C4'-P-C4' energy: -41.442
flat angles P-C4'-P energy: -25.982
tors. eta vs tors. theta energy: -40.485
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: 6
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -530.310482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.310482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.310482 (E_RNA)
where:
Base-Base interactions energy: -370.073
where: short stacking energy: -151.804
Base-Backbone interact. energy: -0.485
local terms energy: -159.752505
where:
bonds (distance) C4'-P energy: -31.331
bonds (distance) P-C4' energy: -30.572
flat angles C4'-P-C4' energy: -34.770
flat angles P-C4'-P energy: -22.936
tors. eta vs tors. theta energy: -40.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -487.876037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.876037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.876037 (E_RNA)
where:
Base-Base interactions energy: -342.475
where: short stacking energy: -141.032
Base-Backbone interact. energy: -1.447
local terms energy: -143.953903
where:
bonds (distance) C4'-P energy: -34.449
bonds (distance) P-C4' energy: -31.475
flat angles C4'-P-C4' energy: -27.662
flat angles P-C4'-P energy: -20.698
tors. eta vs tors. theta energy: -29.669
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: 4, replica: 8
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -392.019416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.019416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.019416 (E_RNA)
where:
Base-Base interactions energy: -251.954
where: short stacking energy: -128.115
Base-Backbone interact. energy: -0.492
local terms energy: -139.573594
where:
bonds (distance) C4'-P energy: -34.347
bonds (distance) P-C4' energy: -28.572
flat angles C4'-P-C4' energy: -29.965
flat angles P-C4'-P energy: -11.685
tors. eta vs tors. theta energy: -35.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -427.545468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.545468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.545468 (E_RNA)
where:
Base-Base interactions energy: -269.491
where: short stacking energy: -129.616
Base-Backbone interact. energy: -0.175
local terms energy: -157.880001
where:
bonds (distance) C4'-P energy: -31.715
bonds (distance) P-C4' energy: -37.140
flat angles C4'-P-C4' energy: -29.049
flat angles P-C4'-P energy: -23.432
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: 6, replica: 1
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -362.812555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.812555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.812555 (E_RNA)
where:
Base-Base interactions energy: -222.958
where: short stacking energy: -106.125
Base-Backbone interact. energy: -0.352
local terms energy: -139.502599
where:
bonds (distance) C4'-P energy: -27.231
bonds (distance) P-C4' energy: -32.139
flat angles C4'-P-C4' energy: -30.365
flat angles P-C4'-P energy: -26.857
tors. eta vs tors. theta energy: -22.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -303.658657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.658657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.658657 (E_RNA)
where:
Base-Base interactions energy: -175.932
where: short stacking energy: -96.594
Base-Backbone interact. energy: -0.268
local terms energy: -127.458828
where:
bonds (distance) C4'-P energy: -30.829
bonds (distance) P-C4' energy: -29.129
flat angles C4'-P-C4' energy: -28.740
flat angles P-C4'-P energy: -13.829
tors. eta vs tors. theta energy: -24.932
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: 7
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -350.338866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.338866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.338866 (E_RNA)
where:
Base-Base interactions energy: -218.389
where: short stacking energy: -103.373
Base-Backbone interact. energy: 0.610
local terms energy: -132.559817
where:
bonds (distance) C4'-P energy: -31.765
bonds (distance) P-C4' energy: -31.844
flat angles C4'-P-C4' energy: -26.361
flat angles P-C4'-P energy: -23.659
tors. eta vs tors. theta energy: -18.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -235.834102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.834102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.834102 (E_RNA)
where:
Base-Base interactions energy: -118.920
where: short stacking energy: -74.665
Base-Backbone interact. energy: -0.462
local terms energy: -116.451841
where:
bonds (distance) C4'-P energy: -31.157
bonds (distance) P-C4' energy: -29.407
flat angles C4'-P-C4' energy: -26.473
flat angles P-C4'-P energy: -22.228
tors. eta vs tors. theta energy: -7.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -259.582618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.582618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.582618 (E_RNA)
where:
Base-Base interactions energy: -159.926
where: short stacking energy: -75.359
Base-Backbone interact. energy: -0.559
local terms energy: -99.096902
where:
bonds (distance) C4'-P energy: -28.765
bonds (distance) P-C4' energy: -28.614
flat angles C4'-P-C4' energy: -25.457
flat angles P-C4'-P energy: -5.359
tors. eta vs tors. theta energy: -10.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -534.052183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.052183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.052183 (E_RNA)
where:
Base-Base interactions energy: -360.989
where: short stacking energy: -164.661
Base-Backbone interact. energy: -1.056
local terms energy: -172.007390
where:
bonds (distance) C4'-P energy: -32.026
bonds (distance) P-C4' energy: -39.782
flat angles C4'-P-C4' energy: -33.540
flat angles P-C4'-P energy: -15.852
tors. eta vs tors. theta energy: -50.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -549.210116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.210116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.210116 (E_RNA)
where:
Base-Base interactions energy: -361.076
where: short stacking energy: -174.736
Base-Backbone interact. energy: -0.374
local terms energy: -187.760432
where:
bonds (distance) C4'-P energy: -37.308
bonds (distance) P-C4' energy: -32.618
flat angles C4'-P-C4' energy: -41.598
flat angles P-C4'-P energy: -26.618
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: 3, replica: 4
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -487.916844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.916844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.916844 (E_RNA)
where:
Base-Base interactions energy: -325.987
where: short stacking energy: -146.344
Base-Backbone interact. energy: -1.919
local terms energy: -160.011163
where:
bonds (distance) C4'-P energy: -33.272
bonds (distance) P-C4' energy: -30.709
flat angles C4'-P-C4' energy: -36.298
flat angles P-C4'-P energy: -24.018
tors. eta vs tors. theta energy: -35.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -398.106084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.106084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.106084 (E_RNA)
where:
Base-Base interactions energy: -253.387
where: short stacking energy: -126.711
Base-Backbone interact. energy: -0.276
local terms energy: -144.442959
where:
bonds (distance) C4'-P energy: -36.700
bonds (distance) P-C4' energy: -25.902
flat angles C4'-P-C4' energy: -31.747
flat angles P-C4'-P energy: -15.250
tors. eta vs tors. theta energy: -34.845
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: 5, replica: 10
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -442.922110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.922110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.922110 (E_RNA)
where:
Base-Base interactions energy: -289.054
where: short stacking energy: -144.364
Base-Backbone interact. energy: -0.315
local terms energy: -153.552233
where:
bonds (distance) C4'-P energy: -23.338
bonds (distance) P-C4' energy: -31.197
flat angles C4'-P-C4' energy: -37.971
flat angles P-C4'-P energy: -21.180
tors. eta vs tors. theta energy: -39.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -356.493520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.493520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.493520 (E_RNA)
where:
Base-Base interactions energy: -226.661
where: short stacking energy: -119.989
Base-Backbone interact. energy: -1.202
local terms energy: -128.630246
where:
bonds (distance) C4'-P energy: -27.730
bonds (distance) P-C4' energy: -26.378
flat angles C4'-P-C4' energy: -23.887
flat angles P-C4'-P energy: -24.180
tors. eta vs tors. theta energy: -26.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -301.240491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.240491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.240491 (E_RNA)
where:
Base-Base interactions energy: -180.748
where: short stacking energy: -86.789
Base-Backbone interact. energy: -0.603
local terms energy: -119.889162
where:
bonds (distance) C4'-P energy: -27.303
bonds (distance) P-C4' energy: -28.456
flat angles C4'-P-C4' energy: -35.570
flat angles P-C4'-P energy: -14.000
tors. eta vs tors. theta energy: -14.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -347.956147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.956147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.956147 (E_RNA)
where:
Base-Base interactions energy: -224.192
where: short stacking energy: -113.051
Base-Backbone interact. energy: -0.419
local terms energy: -123.344556
where:
bonds (distance) C4'-P energy: -28.013
bonds (distance) P-C4' energy: -30.719
flat angles C4'-P-C4' energy: -18.784
flat angles P-C4'-P energy: -19.779
tors. eta vs tors. theta energy: -26.049
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: 2
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -231.809833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.809833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.809833 (E_RNA)
where:
Base-Base interactions energy: -118.222
where: short stacking energy: -68.174
Base-Backbone interact. energy: -0.295
local terms energy: -113.293228
where:
bonds (distance) C4'-P energy: -30.409
bonds (distance) P-C4' energy: -33.174
flat angles C4'-P-C4' energy: -29.327
flat angles P-C4'-P energy: -14.740
tors. eta vs tors. theta energy: -5.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -253.318949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.318949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.318949 (E_RNA)
where:
Base-Base interactions energy: -142.290
where: short stacking energy: -88.811
Base-Backbone interact. energy: -0.688
local terms energy: -110.340716
where:
bonds (distance) C4'-P energy: -25.700
bonds (distance) P-C4' energy: -16.037
flat angles C4'-P-C4' energy: -31.196
flat angles P-C4'-P energy: -25.923
tors. eta vs tors. theta energy: -11.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -554.864556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.864556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.864556 (E_RNA)
where:
Base-Base interactions energy: -372.116
where: short stacking energy: -169.987
Base-Backbone interact. energy: -1.292
local terms energy: -181.456255
where:
bonds (distance) C4'-P energy: -34.227
bonds (distance) P-C4' energy: -35.596
flat angles C4'-P-C4' energy: -34.299
flat angles P-C4'-P energy: -28.840
tors. eta vs tors. theta energy: -48.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -522.188382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.188382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.188382 (E_RNA)
where:
Base-Base interactions energy: -353.314
where: short stacking energy: -149.110
Base-Backbone interact. energy: -1.356
local terms energy: -167.518314
where:
bonds (distance) C4'-P energy: -33.388
bonds (distance) P-C4' energy: -38.189
flat angles C4'-P-C4' energy: -41.319
flat angles P-C4'-P energy: -20.188
tors. eta vs tors. theta energy: -34.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -490.740044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.740044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.740044 (E_RNA)
where:
Base-Base interactions energy: -340.717
where: short stacking energy: -146.841
Base-Backbone interact. energy: 1.130
local terms energy: -151.153220
where:
bonds (distance) C4'-P energy: -32.892
bonds (distance) P-C4' energy: -33.782
flat angles C4'-P-C4' energy: -29.699
flat angles P-C4'-P energy: -20.866
tors. eta vs tors. theta energy: -33.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -355.699261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.699261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.699261 (E_RNA)
where:
Base-Base interactions energy: -213.114
where: short stacking energy: -103.374
Base-Backbone interact. energy: -0.326
local terms energy: -142.259354
where:
bonds (distance) C4'-P energy: -32.068
bonds (distance) P-C4' energy: -38.677
flat angles C4'-P-C4' energy: -35.445
flat angles P-C4'-P energy: -20.027
tors. eta vs tors. theta energy: -16.043
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: 5, replica: 10
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -451.297646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.297646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.297646 (E_RNA)
where:
Base-Base interactions energy: -290.856
where: short stacking energy: -154.589
Base-Backbone interact. energy: 0.561
local terms energy: -161.002834
where:
bonds (distance) C4'-P energy: -31.952
bonds (distance) P-C4' energy: -32.211
flat angles C4'-P-C4' energy: -36.070
flat angles P-C4'-P energy: -19.750
tors. eta vs tors. theta energy: -41.019
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: 6, replica: 1
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -370.704010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.704010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.704010 (E_RNA)
where:
Base-Base interactions energy: -226.355
where: short stacking energy: -122.136
Base-Backbone interact. energy: -1.713
local terms energy: -142.636140
where:
bonds (distance) C4'-P energy: -30.686
bonds (distance) P-C4' energy: -34.876
flat angles C4'-P-C4' energy: -33.534
flat angles P-C4'-P energy: -20.412
tors. eta vs tors. theta energy: -23.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -323.416298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.416298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.416298 (E_RNA)
where:
Base-Base interactions energy: -198.114
where: short stacking energy: -92.843
Base-Backbone interact. energy: -0.562
local terms energy: -124.740766
where:
bonds (distance) C4'-P energy: -21.941
bonds (distance) P-C4' energy: -33.832
flat angles C4'-P-C4' energy: -31.642
flat angles P-C4'-P energy: -19.038
tors. eta vs tors. theta energy: -18.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -256.733686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.733686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.733686 (E_RNA)
where:
Base-Base interactions energy: -144.904
where: short stacking energy: -81.430
Base-Backbone interact. energy: -1.037
local terms energy: -110.792802
where:
bonds (distance) C4'-P energy: -36.260
bonds (distance) P-C4' energy: -30.077
flat angles C4'-P-C4' energy: -22.017
flat angles P-C4'-P energy: -15.136
tors. eta vs tors. theta energy: -7.303
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: 5
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -209.063649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.063649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.063649 (E_RNA)
where:
Base-Base interactions energy: -103.551
where: short stacking energy: -65.193
Base-Backbone interact. energy: -0.442
local terms energy: -105.070647
where:
bonds (distance) C4'-P energy: -29.091
bonds (distance) P-C4' energy: -22.247
flat angles C4'-P-C4' energy: -33.418
flat angles P-C4'-P energy: -18.943
tors. eta vs tors. theta energy: -1.371
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: 10, replica: 2
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -214.893465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.893465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.893465 (E_RNA)
where:
Base-Base interactions energy: -111.144
where: short stacking energy: -72.045
Base-Backbone interact. energy: -0.342
local terms energy: -103.407514
where:
bonds (distance) C4'-P energy: -23.019
bonds (distance) P-C4' energy: -28.530
flat angles C4'-P-C4' energy: -29.076
flat angles P-C4'-P energy: -12.559
tors. eta vs tors. theta energy: -10.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -552.519732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.519732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.519732 (E_RNA)
where:
Base-Base interactions energy: -376.292
where: short stacking energy: -182.536
Base-Backbone interact. energy: -2.023
local terms energy: -174.204866
where:
bonds (distance) C4'-P energy: -33.186
bonds (distance) P-C4' energy: -39.308
flat angles C4'-P-C4' energy: -37.091
flat angles P-C4'-P energy: -21.754
tors. eta vs tors. theta energy: -42.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -527.291269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.291269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.291269 (E_RNA)
where:
Base-Base interactions energy: -360.675
where: short stacking energy: -159.427
Base-Backbone interact. energy: -0.373
local terms energy: -166.243745
where:
bonds (distance) C4'-P energy: -31.887
bonds (distance) P-C4' energy: -42.788
flat angles C4'-P-C4' energy: -28.045
flat angles P-C4'-P energy: -22.216
tors. eta vs tors. theta energy: -41.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -495.033685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.033685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.033685 (E_RNA)
where:
Base-Base interactions energy: -323.551
where: short stacking energy: -136.870
Base-Backbone interact. energy: -1.511
local terms energy: -169.971147
where:
bonds (distance) C4'-P energy: -37.149
bonds (distance) P-C4' energy: -33.414
flat angles C4'-P-C4' energy: -41.398
flat angles P-C4'-P energy: -26.799
tors. eta vs tors. theta energy: -31.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -443.111294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.111294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.111294 (E_RNA)
where:
Base-Base interactions energy: -280.314
where: short stacking energy: -141.784
Base-Backbone interact. energy: -0.450
local terms energy: -162.347043
where:
bonds (distance) C4'-P energy: -32.316
bonds (distance) P-C4' energy: -27.689
flat angles C4'-P-C4' energy: -41.292
flat angles P-C4'-P energy: -26.595
tors. eta vs tors. theta energy: -34.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -371.995408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.995408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.995408 (E_RNA)
where:
Base-Base interactions energy: -224.331
where: short stacking energy: -112.010
Base-Backbone interact. energy: -1.522
local terms energy: -146.141935
where:
bonds (distance) C4'-P energy: -37.238
bonds (distance) P-C4' energy: -35.454
flat angles C4'-P-C4' energy: -25.617
flat angles P-C4'-P energy: -20.222
tors. eta vs tors. theta energy: -27.612
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: 7
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -354.677573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.677573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.677573 (E_RNA)
where:
Base-Base interactions energy: -206.608
where: short stacking energy: -120.776
Base-Backbone interact. energy: -0.381
local terms energy: -147.688175
where:
bonds (distance) C4'-P energy: -33.195
bonds (distance) P-C4' energy: -34.933
flat angles C4'-P-C4' energy: -23.841
flat angles P-C4'-P energy: -25.901
tors. eta vs tors. theta energy: -29.818
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: 1
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -334.578158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.578158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.578158 (E_RNA)
where:
Base-Base interactions energy: -206.057
where: short stacking energy: -107.051
Base-Backbone interact. energy: 2.216
local terms energy: -130.737588
where:
bonds (distance) C4'-P energy: -34.572
bonds (distance) P-C4' energy: -24.550
flat angles C4'-P-C4' energy: -27.124
flat angles P-C4'-P energy: -26.067
tors. eta vs tors. theta energy: -18.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -267.940708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.940708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.940708 (E_RNA)
where:
Base-Base interactions energy: -150.823
where: short stacking energy: -71.938
Base-Backbone interact. energy: -0.659
local terms energy: -116.458379
where:
bonds (distance) C4'-P energy: -27.008
bonds (distance) P-C4' energy: -26.542
flat angles C4'-P-C4' energy: -31.174
flat angles P-C4'-P energy: -26.424
tors. eta vs tors. theta energy: -5.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -237.791746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.791746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.791746 (E_RNA)
where:
Base-Base interactions energy: -128.728
where: short stacking energy: -78.309
Base-Backbone interact. energy: -0.355
local terms energy: -108.709070
where:
bonds (distance) C4'-P energy: -19.355
bonds (distance) P-C4' energy: -27.724
flat angles C4'-P-C4' energy: -31.062
flat angles P-C4'-P energy: -17.528
tors. eta vs tors. theta energy: -13.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -239.718871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.718871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.718871 (E_RNA)
where:
Base-Base interactions energy: -135.220
where: short stacking energy: -81.251
Base-Backbone interact. energy: -0.362
local terms energy: -104.136227
where:
bonds (distance) C4'-P energy: -26.417
bonds (distance) P-C4' energy: -22.621
flat angles C4'-P-C4' energy: -30.238
flat angles P-C4'-P energy: -14.216
tors. eta vs tors. theta energy: -10.645
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: 6
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -562.183738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.183738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.183738 (E_RNA)
where:
Base-Base interactions energy: -383.038
where: short stacking energy: -171.358
Base-Backbone interact. energy: -0.667
local terms energy: -178.479273
where:
bonds (distance) C4'-P energy: -31.281
bonds (distance) P-C4' energy: -36.404
flat angles C4'-P-C4' energy: -39.098
flat angles P-C4'-P energy: -24.248
tors. eta vs tors. theta energy: -47.447
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: 66
Temperature: 0.950000
Total energy: -534.503307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.503307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.503307 (E_RNA)
where:
Base-Base interactions energy: -371.754
where: short stacking energy: -165.000
Base-Backbone interact. energy: -0.521
local terms energy: -162.229090
where:
bonds (distance) C4'-P energy: -31.485
bonds (distance) P-C4' energy: -28.662
flat angles C4'-P-C4' energy: -36.321
flat angles P-C4'-P energy: -21.593
tors. eta vs tors. theta energy: -44.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -504.289792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.289792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.289792 (E_RNA)
where:
Base-Base interactions energy: -353.535
where: short stacking energy: -151.902
Base-Backbone interact. energy: -0.507
local terms energy: -150.248138
where:
bonds (distance) C4'-P energy: -23.371
bonds (distance) P-C4' energy: -34.030
flat angles C4'-P-C4' energy: -38.043
flat angles P-C4'-P energy: -21.585
tors. eta vs tors. theta energy: -33.219
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: 10
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -448.268631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.268631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.268631 (E_RNA)
where:
Base-Base interactions energy: -289.180
where: short stacking energy: -138.357
Base-Backbone interact. energy: 0.162
local terms energy: -159.250461
where:
bonds (distance) C4'-P energy: -27.670
bonds (distance) P-C4' energy: -33.557
flat angles C4'-P-C4' energy: -38.521
flat angles P-C4'-P energy: -24.045
tors. eta vs tors. theta energy: -35.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -403.740038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.740038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.740038 (E_RNA)
where:
Base-Base interactions energy: -248.817
where: short stacking energy: -126.597
Base-Backbone interact. energy: -0.143
local terms energy: -154.779640
where:
bonds (distance) C4'-P energy: -30.011
bonds (distance) P-C4' energy: -33.525
flat angles C4'-P-C4' energy: -33.201
flat angles P-C4'-P energy: -22.190
tors. eta vs tors. theta energy: -35.853
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: 7
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -383.065752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.065752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.065752 (E_RNA)
where:
Base-Base interactions energy: -234.291
where: short stacking energy: -109.642
Base-Backbone interact. energy: -2.064
local terms energy: -146.710675
where:
bonds (distance) C4'-P energy: -33.406
bonds (distance) P-C4' energy: -36.574
flat angles C4'-P-C4' energy: -31.745
flat angles P-C4'-P energy: -18.418
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: 7, replica: 1
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -326.997684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.997684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.997684 (E_RNA)
where:
Base-Base interactions energy: -197.620
where: short stacking energy: -97.120
Base-Backbone interact. energy: 2.598
local terms energy: -131.975314
where:
bonds (distance) C4'-P energy: -28.574
bonds (distance) P-C4' energy: -35.287
flat angles C4'-P-C4' energy: -23.382
flat angles P-C4'-P energy: -23.007
tors. eta vs tors. theta energy: -21.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -290.151243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.151243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.151243 (E_RNA)
where:
Base-Base interactions energy: -158.637
where: short stacking energy: -81.984
Base-Backbone interact. energy: 0.543
local terms energy: -132.057058
where:
bonds (distance) C4'-P energy: -31.203
bonds (distance) P-C4' energy: -28.338
flat angles C4'-P-C4' energy: -33.005
flat angles P-C4'-P energy: -19.593
tors. eta vs tors. theta energy: -19.919
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: 2
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -230.379022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.379022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.379022 (E_RNA)
where:
Base-Base interactions energy: -127.304
where: short stacking energy: -77.043
Base-Backbone interact. energy: 0.094
local terms energy: -103.168757
where:
bonds (distance) C4'-P energy: -27.893
bonds (distance) P-C4' energy: -33.906
flat angles C4'-P-C4' energy: -16.490
flat angles P-C4'-P energy: -16.403
tors. eta vs tors. theta energy: -8.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -217.875090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.875090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.875090 (E_RNA)
where:
Base-Base interactions energy: -112.266
where: short stacking energy: -75.083
Base-Backbone interact. energy: 0.020
local terms energy: -105.629685
where:
bonds (distance) C4'-P energy: -24.276
bonds (distance) P-C4' energy: -29.335
flat angles C4'-P-C4' energy: -27.211
flat angles P-C4'-P energy: -18.941
tors. eta vs tors. theta energy: -5.867
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: 6
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -572.059213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.059213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.059213 (E_RNA)
where:
Base-Base interactions energy: -386.329
where: short stacking energy: -173.959
Base-Backbone interact. energy: -0.865
local terms energy: -184.864509
where:
bonds (distance) C4'-P energy: -35.362
bonds (distance) P-C4' energy: -39.524
flat angles C4'-P-C4' energy: -38.890
flat angles P-C4'-P energy: -25.030
tors. eta vs tors. theta energy: -46.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -545.431265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.431265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.431265 (E_RNA)
where:
Base-Base interactions energy: -368.960
where: short stacking energy: -174.870
Base-Backbone interact. energy: -0.521
local terms energy: -175.950676
where:
bonds (distance) C4'-P energy: -30.568
bonds (distance) P-C4' energy: -38.907
flat angles C4'-P-C4' energy: -36.442
flat angles P-C4'-P energy: -24.241
tors. eta vs tors. theta energy: -45.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -504.360410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.360410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.360410 (E_RNA)
where:
Base-Base interactions energy: -338.847
where: short stacking energy: -141.995
Base-Backbone interact. energy: -1.212
local terms energy: -164.302124
where:
bonds (distance) C4'-P energy: -28.441
bonds (distance) P-C4' energy: -35.811
flat angles C4'-P-C4' energy: -40.545
flat angles P-C4'-P energy: -26.590
tors. eta vs tors. theta energy: -32.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -409.491520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.491520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.491520 (E_RNA)
where:
Base-Base interactions energy: -267.854
where: short stacking energy: -136.704
Base-Backbone interact. energy: -0.097
local terms energy: -141.540820
where:
bonds (distance) C4'-P energy: -25.849
bonds (distance) P-C4' energy: -32.238
flat angles C4'-P-C4' energy: -30.330
flat angles P-C4'-P energy: -19.371
tors. eta vs tors. theta energy: -33.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -446.113602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.113602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.113602 (E_RNA)
where:
Base-Base interactions energy: -290.830
where: short stacking energy: -135.399
Base-Backbone interact. energy: -1.173
local terms energy: -154.110163
where:
bonds (distance) C4'-P energy: -27.964
bonds (distance) P-C4' energy: -34.030
flat angles C4'-P-C4' energy: -33.824
flat angles P-C4'-P energy: -20.397
tors. eta vs tors. theta energy: -37.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -382.665047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.665047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.665047 (E_RNA)
where:
Base-Base interactions energy: -233.060
where: short stacking energy: -131.848
Base-Backbone interact. energy: 1.928
local terms energy: -151.532572
where:
bonds (distance) C4'-P energy: -28.004
bonds (distance) P-C4' energy: -30.995
flat angles C4'-P-C4' energy: -36.238
flat angles P-C4'-P energy: -23.227
tors. eta vs tors. theta energy: -33.069
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: 1
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -337.271569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.271569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.271569 (E_RNA)
where:
Base-Base interactions energy: -210.611
where: short stacking energy: -118.647
Base-Backbone interact. energy: 0.307
local terms energy: -126.967655
where:
bonds (distance) C4'-P energy: -29.096
bonds (distance) P-C4' energy: -26.342
flat angles C4'-P-C4' energy: -32.103
flat angles P-C4'-P energy: -14.391
tors. eta vs tors. theta energy: -25.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -263.807067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.807067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.807067 (E_RNA)
where:
Base-Base interactions energy: -158.061
where: short stacking energy: -82.640
Base-Backbone interact. energy: -1.733
local terms energy: -104.012297
where:
bonds (distance) C4'-P energy: -19.884
bonds (distance) P-C4' energy: -35.061
flat angles C4'-P-C4' energy: -28.118
flat angles P-C4'-P energy: -10.513
tors. eta vs tors. theta energy: -10.435
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: 2
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -235.070025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.070025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.070025 (E_RNA)
where:
Base-Base interactions energy: -109.787
where: short stacking energy: -68.294
Base-Backbone interact. energy: 0.439
local terms energy: -125.721419
where:
bonds (distance) C4'-P energy: -28.402
bonds (distance) P-C4' energy: -29.843
flat angles C4'-P-C4' energy: -35.581
flat angles P-C4'-P energy: -15.605
tors. eta vs tors. theta energy: -16.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -249.491229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.491229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.491229 (E_RNA)
where:
Base-Base interactions energy: -127.615
where: short stacking energy: -79.347
Base-Backbone interact. energy: 2.136
local terms energy: -124.012275
where:
bonds (distance) C4'-P energy: -29.622
bonds (distance) P-C4' energy: -34.860
flat angles C4'-P-C4' energy: -25.597
flat angles P-C4'-P energy: -16.080
tors. eta vs tors. theta energy: -17.852
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: 1, replica: 6
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -558.825784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.825784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.825784 (E_RNA)
where:
Base-Base interactions energy: -382.370
where: short stacking energy: -162.819
Base-Backbone interact. energy: -0.669
local terms energy: -175.785919
where:
bonds (distance) C4'-P energy: -36.025
bonds (distance) P-C4' energy: -34.072
flat angles C4'-P-C4' energy: -38.468
flat angles P-C4'-P energy: -24.829
tors. eta vs tors. theta energy: -42.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -534.883021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.883021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.883021 (E_RNA)
where:
Base-Base interactions energy: -375.234
where: short stacking energy: -165.046
Base-Backbone interact. energy: -1.018
local terms energy: -158.631381
where:
bonds (distance) C4'-P energy: -31.251
bonds (distance) P-C4' energy: -31.145
flat angles C4'-P-C4' energy: -33.307
flat angles P-C4'-P energy: -25.924
tors. eta vs tors. theta energy: -37.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -514.213696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.213696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.213696 (E_RNA)
where:
Base-Base interactions energy: -342.989
where: short stacking energy: -155.856
Base-Backbone interact. energy: -0.873
local terms energy: -170.351518
where:
bonds (distance) C4'-P energy: -36.911
bonds (distance) P-C4' energy: -27.614
flat angles C4'-P-C4' energy: -38.664
flat angles P-C4'-P energy: -30.119
tors. eta vs tors. theta energy: -37.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -440.157109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.157109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.157109 (E_RNA)
where:
Base-Base interactions energy: -280.714
where: short stacking energy: -137.720
Base-Backbone interact. energy: -0.318
local terms energy: -159.125169
where:
bonds (distance) C4'-P energy: -34.625
bonds (distance) P-C4' energy: -34.176
flat angles C4'-P-C4' energy: -33.141
flat angles P-C4'-P energy: -24.250
tors. eta vs tors. theta energy: -32.933
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: 10
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -472.275157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.275157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.275157 (E_RNA)
where:
Base-Base interactions energy: -305.729
where: short stacking energy: -145.056
Base-Backbone interact. energy: -0.531
local terms energy: -166.014948
where:
bonds (distance) C4'-P energy: -29.357
bonds (distance) P-C4' energy: -32.966
flat angles C4'-P-C4' energy: -33.365
flat angles P-C4'-P energy: -26.114
tors. eta vs tors. theta energy: -44.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -365.284152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.284152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.284152 (E_RNA)
where:
Base-Base interactions energy: -229.599
where: short stacking energy: -125.084
Base-Backbone interact. energy: 0.628
local terms energy: -136.312941
where:
bonds (distance) C4'-P energy: -27.526
bonds (distance) P-C4' energy: -32.413
flat angles C4'-P-C4' energy: -33.753
flat angles P-C4'-P energy: -15.249
tors. eta vs tors. theta energy: -27.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -366.689208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.689208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.689208 (E_RNA)
where:
Base-Base interactions energy: -226.910
where: short stacking energy: -107.437
Base-Backbone interact. energy: 1.593
local terms energy: -141.371888
where:
bonds (distance) C4'-P energy: -31.741
bonds (distance) P-C4' energy: -35.918
flat angles C4'-P-C4' energy: -31.995
flat angles P-C4'-P energy: -13.700
tors. eta vs tors. theta energy: -28.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -263.143119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.143119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.143119 (E_RNA)
where:
Base-Base interactions energy: -136.226
where: short stacking energy: -66.303
Base-Backbone interact. energy: -0.690
local terms energy: -126.227082
where:
bonds (distance) C4'-P energy: -34.544
bonds (distance) P-C4' energy: -28.059
flat angles C4'-P-C4' energy: -30.620
flat angles P-C4'-P energy: -17.158
tors. eta vs tors. theta energy: -15.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -235.721423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.721423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.721423 (E_RNA)
where:
Base-Base interactions energy: -120.721
where: short stacking energy: -67.482
Base-Backbone interact. energy: -0.562
local terms energy: -114.438232
where:
bonds (distance) C4'-P energy: -22.114
bonds (distance) P-C4' energy: -31.577
flat angles C4'-P-C4' energy: -27.873
flat angles P-C4'-P energy: -15.468
tors. eta vs tors. theta energy: -17.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -239.497353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.497353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.497353 (E_RNA)
where:
Base-Base interactions energy: -130.852
where: short stacking energy: -65.250
Base-Backbone interact. energy: -0.208
local terms energy: -108.437250
where:
bonds (distance) C4'-P energy: -34.668
bonds (distance) P-C4' energy: -28.403
flat angles C4'-P-C4' energy: -24.234
flat angles P-C4'-P energy: -19.383
tors. eta vs tors. theta energy: -1.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -540.985524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.985524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.985524 (E_RNA)
where:
Base-Base interactions energy: -367.630
where: short stacking energy: -154.627
Base-Backbone interact. energy: -0.939
local terms energy: -172.416587
where:
bonds (distance) C4'-P energy: -28.473
bonds (distance) P-C4' energy: -36.575
flat angles C4'-P-C4' energy: -41.766
flat angles P-C4'-P energy: -27.538
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: 2, replica: 9
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -546.044542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.044542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.044542 (E_RNA)
where:
Base-Base interactions energy: -371.459
where: short stacking energy: -170.168
Base-Backbone interact. energy: 1.571
local terms energy: -176.156785
where:
bonds (distance) C4'-P energy: -33.947
bonds (distance) P-C4' energy: -31.282
flat angles C4'-P-C4' energy: -34.557
flat angles P-C4'-P energy: -31.504
tors. eta vs tors. theta energy: -44.866
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: 4
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -523.189528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.189528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.189528 (E_RNA)
where:
Base-Base interactions energy: -360.423
where: short stacking energy: -162.076
Base-Backbone interact. energy: -0.793
local terms energy: -161.973828
where:
bonds (distance) C4'-P energy: -30.594
bonds (distance) P-C4' energy: -36.330
flat angles C4'-P-C4' energy: -33.644
flat angles P-C4'-P energy: -22.946
tors. eta vs tors. theta energy: -38.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -431.850368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.850368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.850368 (E_RNA)
where:
Base-Base interactions energy: -282.168
where: short stacking energy: -148.971
Base-Backbone interact. energy: -1.485
local terms energy: -148.196527
where:
bonds (distance) C4'-P energy: -32.328
bonds (distance) P-C4' energy: -34.093
flat angles C4'-P-C4' energy: -31.795
flat angles P-C4'-P energy: -18.330
tors. eta vs tors. theta energy: -31.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -422.223318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.223318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.223318 (E_RNA)
where:
Base-Base interactions energy: -263.248
where: short stacking energy: -124.545
Base-Backbone interact. energy: -0.491
local terms energy: -158.484330
where:
bonds (distance) C4'-P energy: -32.073
bonds (distance) P-C4' energy: -33.357
flat angles C4'-P-C4' energy: -31.508
flat angles P-C4'-P energy: -23.724
tors. eta vs tors. theta energy: -37.823
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: 6, replica: 1
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -372.048232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.048232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.048232 (E_RNA)
where:
Base-Base interactions energy: -234.917
where: short stacking energy: -108.652
Base-Backbone interact. energy: 0.134
local terms energy: -137.265441
where:
bonds (distance) C4'-P energy: -30.851
bonds (distance) P-C4' energy: -30.095
flat angles C4'-P-C4' energy: -37.427
flat angles P-C4'-P energy: -15.491
tors. eta vs tors. theta energy: -23.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -332.413113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.413113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.413113 (E_RNA)
where:
Base-Base interactions energy: -200.955
where: short stacking energy: -104.476
Base-Backbone interact. energy: -0.447
local terms energy: -131.011769
where:
bonds (distance) C4'-P energy: -26.776
bonds (distance) P-C4' energy: -34.148
flat angles C4'-P-C4' energy: -30.721
flat angles P-C4'-P energy: -18.150
tors. eta vs tors. theta energy: -21.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -254.470002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.470002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.470002 (E_RNA)
where:
Base-Base interactions energy: -129.375
where: short stacking energy: -88.965
Base-Backbone interact. energy: -0.282
local terms energy: -124.812945
where:
bonds (distance) C4'-P energy: -29.382
bonds (distance) P-C4' energy: -34.855
flat angles C4'-P-C4' energy: -30.830
flat angles P-C4'-P energy: -13.090
tors. eta vs tors. theta energy: -16.656
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: 69
Temperature: 1.300000
Total energy: -232.532513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.532513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.532513 (E_RNA)
where:
Base-Base interactions energy: -127.438
where: short stacking energy: -66.454
Base-Backbone interact. energy: -0.818
local terms energy: -104.276479
where:
bonds (distance) C4'-P energy: -26.387
bonds (distance) P-C4' energy: -23.916
flat angles C4'-P-C4' energy: -24.535
flat angles P-C4'-P energy: -18.544
tors. eta vs tors. theta energy: -10.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -250.799265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.799265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.799265 (E_RNA)
where:
Base-Base interactions energy: -128.709
where: short stacking energy: -77.886
Base-Backbone interact. energy: -0.345
local terms energy: -121.745130
where:
bonds (distance) C4'-P energy: -33.004
bonds (distance) P-C4' energy: -27.048
flat angles C4'-P-C4' energy: -23.649
flat angles P-C4'-P energy: -21.651
tors. eta vs tors. theta energy: -16.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -551.580574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.580574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.580574 (E_RNA)
where:
Base-Base interactions energy: -379.074
where: short stacking energy: -181.930
Base-Backbone interact. energy: 0.691
local terms energy: -173.197334
where:
bonds (distance) C4'-P energy: -27.892
bonds (distance) P-C4' energy: -33.292
flat angles C4'-P-C4' energy: -37.679
flat angles P-C4'-P energy: -29.954
tors. eta vs tors. theta energy: -44.380
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: 6
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -544.841683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.841683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.841683 (E_RNA)
where:
Base-Base interactions energy: -373.482
where: short stacking energy: -157.450
Base-Backbone interact. energy: -1.507
local terms energy: -169.853118
where:
bonds (distance) C4'-P energy: -32.040
bonds (distance) P-C4' energy: -36.864
flat angles C4'-P-C4' energy: -40.799
flat angles P-C4'-P energy: -21.598
tors. eta vs tors. theta energy: -38.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -490.512921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.512921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.512921 (E_RNA)
where:
Base-Base interactions energy: -334.834
where: short stacking energy: -144.227
Base-Backbone interact. energy: -0.801
local terms energy: -154.878000
where:
bonds (distance) C4'-P energy: -32.772
bonds (distance) P-C4' energy: -30.429
flat angles C4'-P-C4' energy: -34.891
flat angles P-C4'-P energy: -25.294
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: 4, replica: 8
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -437.619281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.619281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.619281 (E_RNA)
where:
Base-Base interactions energy: -274.657
where: short stacking energy: -122.095
Base-Backbone interact. energy: -0.685
local terms energy: -162.278144
where:
bonds (distance) C4'-P energy: -36.772
bonds (distance) P-C4' energy: -35.366
flat angles C4'-P-C4' energy: -34.330
flat angles P-C4'-P energy: -22.892
tors. eta vs tors. theta energy: -32.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -400.959473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.959473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.959473 (E_RNA)
where:
Base-Base interactions energy: -248.118
where: short stacking energy: -132.032
Base-Backbone interact. energy: -0.168
local terms energy: -152.673471
where:
bonds (distance) C4'-P energy: -33.751
bonds (distance) P-C4' energy: -36.921
flat angles C4'-P-C4' energy: -28.028
flat angles P-C4'-P energy: -22.243
tors. eta vs tors. theta energy: -31.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -437.068037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.068037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.068037 (E_RNA)
where:
Base-Base interactions energy: -267.324
where: short stacking energy: -145.381
Base-Backbone interact. energy: -0.434
local terms energy: -169.310687
where:
bonds (distance) C4'-P energy: -28.226
bonds (distance) P-C4' energy: -39.124
flat angles C4'-P-C4' energy: -34.878
flat angles P-C4'-P energy: -27.569
tors. eta vs tors. theta energy: -39.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -355.249947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.249947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.249947 (E_RNA)
where:
Base-Base interactions energy: -204.601
where: short stacking energy: -106.236
Base-Backbone interact. energy: -0.568
local terms energy: -150.081443
where:
bonds (distance) C4'-P energy: -36.173
bonds (distance) P-C4' energy: -36.327
flat angles C4'-P-C4' energy: -28.889
flat angles P-C4'-P energy: -22.407
tors. eta vs tors. theta energy: -26.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -255.269199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.269199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.269199 (E_RNA)
where:
Base-Base interactions energy: -136.518
where: short stacking energy: -89.971
Base-Backbone interact. energy: 0.365
local terms energy: -119.116304
where:
bonds (distance) C4'-P energy: -27.368
bonds (distance) P-C4' energy: -23.372
flat angles C4'-P-C4' energy: -30.309
flat angles P-C4'-P energy: -20.376
tors. eta vs tors. theta energy: -17.692
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: 9, replica: 5
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -274.968167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.968167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.968167 (E_RNA)
where:
Base-Base interactions energy: -161.189
where: short stacking energy: -93.209
Base-Backbone interact. energy: -0.271
local terms energy: -113.507924
where:
bonds (distance) C4'-P energy: -30.700
bonds (distance) P-C4' energy: -25.090
flat angles C4'-P-C4' energy: -29.196
flat angles P-C4'-P energy: -15.747
tors. eta vs tors. theta energy: -12.774
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: 70
Temperature: 1.350000
Total energy: -274.680981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.680981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.680981 (E_RNA)
where:
Base-Base interactions energy: -177.587
where: short stacking energy: -84.763
Base-Backbone interact. energy: 0.885
local terms energy: -97.979660
where:
bonds (distance) C4'-P energy: -22.116
bonds (distance) P-C4' energy: -24.596
flat angles C4'-P-C4' energy: -29.425
flat angles P-C4'-P energy: -13.746
tors. eta vs tors. theta energy: -8.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -535.930389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.930389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.930389 (E_RNA)
where:
Base-Base interactions energy: -360.189
where: short stacking energy: -159.345
Base-Backbone interact. energy: -1.083
local terms energy: -174.658865
where:
bonds (distance) C4'-P energy: -34.016
bonds (distance) P-C4' energy: -36.680
flat angles C4'-P-C4' energy: -39.086
flat angles P-C4'-P energy: -28.102
tors. eta vs tors. theta energy: -36.774
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: 6
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -533.710896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.710896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.710896 (E_RNA)
where:
Base-Base interactions energy: -369.545
where: short stacking energy: -158.208
Base-Backbone interact. energy: 2.664
local terms energy: -166.829962
where:
bonds (distance) C4'-P energy: -32.270
bonds (distance) P-C4' energy: -29.004
flat angles C4'-P-C4' energy: -40.796
flat angles P-C4'-P energy: -24.522
tors. eta vs tors. theta energy: -40.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -492.941589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.941589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.941589 (E_RNA)
where:
Base-Base interactions energy: -339.516
where: short stacking energy: -139.406
Base-Backbone interact. energy: 1.263
local terms energy: -154.689253
where:
bonds (distance) C4'-P energy: -32.528
bonds (distance) P-C4' energy: -31.808
flat angles C4'-P-C4' energy: -33.768
flat angles P-C4'-P energy: -30.855
tors. eta vs tors. theta energy: -25.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -430.902076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.902076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.902076 (E_RNA)
where:
Base-Base interactions energy: -276.845
where: short stacking energy: -143.193
Base-Backbone interact. energy: -0.464
local terms energy: -153.593444
where:
bonds (distance) C4'-P energy: -34.612
bonds (distance) P-C4' energy: -34.979
flat angles C4'-P-C4' energy: -32.187
flat angles P-C4'-P energy: -17.170
tors. eta vs tors. theta energy: -34.646
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: 1
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -395.460437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.460437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.460437 (E_RNA)
where:
Base-Base interactions energy: -251.484
where: short stacking energy: -125.479
Base-Backbone interact. energy: -1.602
local terms energy: -142.375141
where:
bonds (distance) C4'-P energy: -29.324
bonds (distance) P-C4' energy: -28.649
flat angles C4'-P-C4' energy: -31.841
flat angles P-C4'-P energy: -22.554
tors. eta vs tors. theta energy: -30.007
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: 10
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -418.751418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.751418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.751418 (E_RNA)
where:
Base-Base interactions energy: -267.779
where: short stacking energy: -132.090
Base-Backbone interact. energy: -0.181
local terms energy: -150.791514
where:
bonds (distance) C4'-P energy: -29.036
bonds (distance) P-C4' energy: -36.639
flat angles C4'-P-C4' energy: -32.249
flat angles P-C4'-P energy: -18.240
tors. eta vs tors. theta energy: -34.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -329.360791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.360791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.360791 (E_RNA)
where:
Base-Base interactions energy: -194.182
where: short stacking energy: -95.161
Base-Backbone interact. energy: -0.032
local terms energy: -135.147005
where:
bonds (distance) C4'-P energy: -35.879
bonds (distance) P-C4' energy: -26.151
flat angles C4'-P-C4' energy: -32.616
flat angles P-C4'-P energy: -17.325
tors. eta vs tors. theta energy: -23.176
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: 8, replica: 5
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -294.436978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.436978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.436978 (E_RNA)
where:
Base-Base interactions energy: -165.426
where: short stacking energy: -89.515
Base-Backbone interact. energy: 0.440
local terms energy: -129.451472
where:
bonds (distance) C4'-P energy: -28.382
bonds (distance) P-C4' energy: -29.038
flat angles C4'-P-C4' energy: -35.441
flat angles P-C4'-P energy: -21.707
tors. eta vs tors. theta energy: -14.883
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: 2
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -234.483887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.483887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.483887 (E_RNA)
where:
Base-Base interactions energy: -127.767
where: short stacking energy: -67.174
Base-Backbone interact. energy: -1.143
local terms energy: -105.573664
where:
bonds (distance) C4'-P energy: -25.381
bonds (distance) P-C4' energy: -26.634
flat angles C4'-P-C4' energy: -32.562
flat angles P-C4'-P energy: -9.279
tors. eta vs tors. theta energy: -11.716
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: 10, replica: 3
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -292.155548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.155548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.155548 (E_RNA)
where:
Base-Base interactions energy: -193.102
where: short stacking energy: -89.855
Base-Backbone interact. energy: -1.398
local terms energy: -97.655004
where:
bonds (distance) C4'-P energy: -23.577
bonds (distance) P-C4' energy: -30.253
flat angles C4'-P-C4' energy: -16.559
flat angles P-C4'-P energy: -13.207
tors. eta vs tors. theta energy: -14.059
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: 9
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -531.782673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.782673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.782673 (E_RNA)
where:
Base-Base interactions energy: -359.889
where: short stacking energy: -176.356
Base-Backbone interact. energy: -1.233
local terms energy: -170.660443
where:
bonds (distance) C4'-P energy: -32.011
bonds (distance) P-C4' energy: -31.085
flat angles C4'-P-C4' energy: -34.235
flat angles P-C4'-P energy: -27.820
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: 2, replica: 6
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -520.591773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.591773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.591773 (E_RNA)
where:
Base-Base interactions energy: -352.599
where: short stacking energy: -161.644
Base-Backbone interact. energy: -0.494
local terms energy: -167.498863
where:
bonds (distance) C4'-P energy: -31.859
bonds (distance) P-C4' energy: -34.587
flat angles C4'-P-C4' energy: -35.018
flat angles P-C4'-P energy: -22.190
tors. eta vs tors. theta energy: -43.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -511.064327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.064327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.064327 (E_RNA)
where:
Base-Base interactions energy: -350.130
where: short stacking energy: -149.573
Base-Backbone interact. energy: -0.788
local terms energy: -160.146266
where:
bonds (distance) C4'-P energy: -38.601
bonds (distance) P-C4' energy: -31.680
flat angles C4'-P-C4' energy: -40.468
flat angles P-C4'-P energy: -16.520
tors. eta vs tors. theta energy: -32.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -419.484963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.484963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.484963 (E_RNA)
where:
Base-Base interactions energy: -271.442
where: short stacking energy: -133.679
Base-Backbone interact. energy: -1.058
local terms energy: -146.985242
where:
bonds (distance) C4'-P energy: -28.435
bonds (distance) P-C4' energy: -30.887
flat angles C4'-P-C4' energy: -36.348
flat angles P-C4'-P energy: -18.448
tors. eta vs tors. theta energy: -32.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -417.894899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.894899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.894899 (E_RNA)
where:
Base-Base interactions energy: -270.570
where: short stacking energy: -127.282
Base-Backbone interact. energy: -0.849
local terms energy: -146.475636
where:
bonds (distance) C4'-P energy: -29.624
bonds (distance) P-C4' energy: -29.715
flat angles C4'-P-C4' energy: -30.782
flat angles P-C4'-P energy: -27.094
tors. eta vs tors. theta energy: -29.260
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: 1
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -377.579116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.579116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.579116 (E_RNA)
where:
Base-Base interactions energy: -232.412
where: short stacking energy: -122.838
Base-Backbone interact. energy: -0.941
local terms energy: -144.226030
where:
bonds (distance) C4'-P energy: -34.788
bonds (distance) P-C4' energy: -33.611
flat angles C4'-P-C4' energy: -29.403
flat angles P-C4'-P energy: -14.289
tors. eta vs tors. theta energy: -32.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -402.621988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.621988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.621988 (E_RNA)
where:
Base-Base interactions energy: -254.523
where: short stacking energy: -129.072
Base-Backbone interact. energy: -0.480
local terms energy: -147.619508
where:
bonds (distance) C4'-P energy: -22.237
bonds (distance) P-C4' energy: -37.545
flat angles C4'-P-C4' energy: -35.452
flat angles P-C4'-P energy: -20.000
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: 8, replica: 7
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -333.600173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.600173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.600173 (E_RNA)
where:
Base-Base interactions energy: -207.889
where: short stacking energy: -101.789
Base-Backbone interact. energy: -1.254
local terms energy: -124.457400
where:
bonds (distance) C4'-P energy: -27.847
bonds (distance) P-C4' energy: -31.882
flat angles C4'-P-C4' energy: -29.511
flat angles P-C4'-P energy: -17.380
tors. eta vs tors. theta energy: -17.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -321.145313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.145313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.145313 (E_RNA)
where:
Base-Base interactions energy: -209.321
where: short stacking energy: -97.282
Base-Backbone interact. energy: -0.397
local terms energy: -111.427353
where:
bonds (distance) C4'-P energy: -26.099
bonds (distance) P-C4' energy: -28.401
flat angles C4'-P-C4' energy: -35.267
flat angles P-C4'-P energy: -8.339
tors. eta vs tors. theta energy: -13.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -225.457226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.457226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.457226 (E_RNA)
where:
Base-Base interactions energy: -112.927
where: short stacking energy: -58.475
Base-Backbone interact. energy: -0.448
local terms energy: -112.082154
where:
bonds (distance) C4'-P energy: -26.789
bonds (distance) P-C4' energy: -28.756
flat angles C4'-P-C4' energy: -26.239
flat angles P-C4'-P energy: -17.435
tors. eta vs tors. theta energy: -12.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -532.535400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.535400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.535400 (E_RNA)
where:
Base-Base interactions energy: -349.909
where: short stacking energy: -175.104
Base-Backbone interact. energy: 3.435
local terms energy: -186.061571
where:
bonds (distance) C4'-P energy: -32.266
bonds (distance) P-C4' energy: -38.271
flat angles C4'-P-C4' energy: -40.871
flat angles P-C4'-P energy: -24.207
tors. eta vs tors. theta energy: -50.447
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: 4
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -525.199649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.199649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.199649 (E_RNA)
where:
Base-Base interactions energy: -365.339
where: short stacking energy: -164.048
Base-Backbone interact. energy: -0.522
local terms energy: -159.338824
where:
bonds (distance) C4'-P energy: -31.911
bonds (distance) P-C4' energy: -34.574
flat angles C4'-P-C4' energy: -32.372
flat angles P-C4'-P energy: -23.803
tors. eta vs tors. theta energy: -36.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -513.779974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.779974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.779974 (E_RNA)
where:
Base-Base interactions energy: -354.497
where: short stacking energy: -159.586
Base-Backbone interact. energy: -0.968
local terms energy: -158.314932
where:
bonds (distance) C4'-P energy: -27.689
bonds (distance) P-C4' energy: -30.620
flat angles C4'-P-C4' energy: -31.639
flat angles P-C4'-P energy: -24.898
tors. eta vs tors. theta energy: -43.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -475.961888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.961888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.961888 (E_RNA)
where:
Base-Base interactions energy: -295.224
where: short stacking energy: -142.468
Base-Backbone interact. energy: -2.830
local terms energy: -177.907999
where:
bonds (distance) C4'-P energy: -35.352
bonds (distance) P-C4' energy: -36.660
flat angles C4'-P-C4' energy: -36.899
flat angles P-C4'-P energy: -26.721
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: 5, replica: 8
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -407.701474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.701474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.701474 (E_RNA)
where:
Base-Base interactions energy: -259.436
where: short stacking energy: -140.332
Base-Backbone interact. energy: -0.152
local terms energy: -148.113710
where:
bonds (distance) C4'-P energy: -30.975
bonds (distance) P-C4' energy: -31.664
flat angles C4'-P-C4' energy: -33.473
flat angles P-C4'-P energy: -19.993
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: 6, replica: 5
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -411.689681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.689681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.689681 (E_RNA)
where:
Base-Base interactions energy: -260.668
where: short stacking energy: -135.444
Base-Backbone interact. energy: -0.126
local terms energy: -150.895437
where:
bonds (distance) C4'-P energy: -33.128
bonds (distance) P-C4' energy: -32.159
flat angles C4'-P-C4' energy: -36.068
flat angles P-C4'-P energy: -18.267
tors. eta vs tors. theta energy: -31.273
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: 1
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -357.309169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.309169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.309169 (E_RNA)
where:
Base-Base interactions energy: -228.893
where: short stacking energy: -115.317
Base-Backbone interact. energy: -0.524
local terms energy: -127.892822
where:
bonds (distance) C4'-P energy: -24.433
bonds (distance) P-C4' energy: -29.606
flat angles C4'-P-C4' energy: -31.845
flat angles P-C4'-P energy: -22.172
tors. eta vs tors. theta energy: -19.838
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: 3
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -309.798572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.798572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.798572 (E_RNA)
where:
Base-Base interactions energy: -184.768
where: short stacking energy: -87.117
Base-Backbone interact. energy: -0.162
local terms energy: -124.868191
where:
bonds (distance) C4'-P energy: -27.846
bonds (distance) P-C4' energy: -39.994
flat angles C4'-P-C4' energy: -28.334
flat angles P-C4'-P energy: -12.938
tors. eta vs tors. theta energy: -15.756
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: 9, replica: 7
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -310.880098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.880098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.880098 (E_RNA)
where:
Base-Base interactions energy: -193.975
where: short stacking energy: -100.647
Base-Backbone interact. energy: 0.117
local terms energy: -117.021743
where:
bonds (distance) C4'-P energy: -18.947
bonds (distance) P-C4' energy: -28.625
flat angles C4'-P-C4' energy: -29.141
flat angles P-C4'-P energy: -22.277
tors. eta vs tors. theta energy: -18.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -239.741515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.741515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.741515 (E_RNA)
where:
Base-Base interactions energy: -134.985
where: short stacking energy: -69.796
Base-Backbone interact. energy: -0.287
local terms energy: -104.469201
where:
bonds (distance) C4'-P energy: -26.758
bonds (distance) P-C4' energy: -33.760
flat angles C4'-P-C4' energy: -32.146
flat angles P-C4'-P energy: -9.082
tors. eta vs tors. theta energy: -2.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -535.517153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.517153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.517153 (E_RNA)
where:
Base-Base interactions energy: -363.327
where: short stacking energy: -174.555
Base-Backbone interact. energy: -0.679
local terms energy: -171.510862
where:
bonds (distance) C4'-P energy: -32.643
bonds (distance) P-C4' energy: -36.244
flat angles C4'-P-C4' energy: -34.691
flat angles P-C4'-P energy: -18.627
tors. eta vs tors. theta energy: -49.306
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: 4
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -526.058917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.058917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.058917 (E_RNA)
where:
Base-Base interactions energy: -356.768
where: short stacking energy: -155.185
Base-Backbone interact. energy: -0.933
local terms energy: -168.357706
where:
bonds (distance) C4'-P energy: -36.253
bonds (distance) P-C4' energy: -39.148
flat angles C4'-P-C4' energy: -32.121
flat angles P-C4'-P energy: -24.124
tors. eta vs tors. theta energy: -36.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -508.713019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.713019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.713019 (E_RNA)
where:
Base-Base interactions energy: -342.934
where: short stacking energy: -153.725
Base-Backbone interact. energy: -1.305
local terms energy: -164.473933
where:
bonds (distance) C4'-P energy: -32.909
bonds (distance) P-C4' energy: -36.497
flat angles C4'-P-C4' energy: -31.698
flat angles P-C4'-P energy: -23.336
tors. eta vs tors. theta energy: -40.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -454.532901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.532901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.532901 (E_RNA)
where:
Base-Base interactions energy: -293.144
where: short stacking energy: -147.324
Base-Backbone interact. energy: -0.962
local terms energy: -160.427119
where:
bonds (distance) C4'-P energy: -31.765
bonds (distance) P-C4' energy: -27.710
flat angles C4'-P-C4' energy: -40.027
flat angles P-C4'-P energy: -17.155
tors. eta vs tors. theta energy: -43.770
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: 74
Temperature: 1.100000
Total energy: -422.771016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.771016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.771016 (E_RNA)
where:
Base-Base interactions energy: -276.396
where: short stacking energy: -118.938
Base-Backbone interact. energy: 1.632
local terms energy: -148.007030
where:
bonds (distance) C4'-P energy: -32.759
bonds (distance) P-C4' energy: -30.638
flat angles C4'-P-C4' energy: -31.455
flat angles P-C4'-P energy: -24.607
tors. eta vs tors. theta energy: -28.548
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: 8
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -399.309110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.309110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.309110 (E_RNA)
where:
Base-Base interactions energy: -249.695
where: short stacking energy: -125.287
Base-Backbone interact. energy: 0.561
local terms energy: -150.175608
where:
bonds (distance) C4'-P energy: -35.791
bonds (distance) P-C4' energy: -29.557
flat angles C4'-P-C4' energy: -35.247
flat angles P-C4'-P energy: -25.444
tors. eta vs tors. theta energy: -24.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -355.118119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.118119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.118119 (E_RNA)
where:
Base-Base interactions energy: -229.090
where: short stacking energy: -111.607
Base-Backbone interact. energy: -0.567
local terms energy: -125.461359
where:
bonds (distance) C4'-P energy: -27.936
bonds (distance) P-C4' energy: -25.228
flat angles C4'-P-C4' energy: -37.319
flat angles P-C4'-P energy: -22.980
tors. eta vs tors. theta energy: -11.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -300.447219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.447219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.447219 (E_RNA)
where:
Base-Base interactions energy: -184.586
where: short stacking energy: -89.919
Base-Backbone interact. energy: -0.500
local terms energy: -115.360852
where:
bonds (distance) C4'-P energy: -30.645
bonds (distance) P-C4' energy: -31.804
flat angles C4'-P-C4' energy: -25.089
flat angles P-C4'-P energy: -17.735
tors. eta vs tors. theta energy: -10.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -326.578031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.578031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.578031 (E_RNA)
where:
Base-Base interactions energy: -185.670
where: short stacking energy: -90.648
Base-Backbone interact. energy: 0.674
local terms energy: -141.582387
where:
bonds (distance) C4'-P energy: -28.968
bonds (distance) P-C4' energy: -41.963
flat angles C4'-P-C4' energy: -27.636
flat angles P-C4'-P energy: -18.413
tors. eta vs tors. theta energy: -24.602
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: 2
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -214.558988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.558988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.558988 (E_RNA)
where:
Base-Base interactions energy: -115.090
where: short stacking energy: -71.404
Base-Backbone interact. energy: 0.231
local terms energy: -99.700175
where:
bonds (distance) C4'-P energy: -33.122
bonds (distance) P-C4' energy: -23.009
flat angles C4'-P-C4' energy: -21.770
flat angles P-C4'-P energy: -19.043
tors. eta vs tors. theta energy: -2.756
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: 9
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -550.204247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.204247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.204247 (E_RNA)
where:
Base-Base interactions energy: -361.337
where: short stacking energy: -159.345
Base-Backbone interact. energy: 0.767
local terms energy: -189.633879
where:
bonds (distance) C4'-P energy: -37.091
bonds (distance) P-C4' energy: -40.042
flat angles C4'-P-C4' energy: -40.120
flat angles P-C4'-P energy: -27.585
tors. eta vs tors. theta energy: -44.796
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: 6
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -553.274070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.274070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.274070 (E_RNA)
where:
Base-Base interactions energy: -380.078
where: short stacking energy: -168.901
Base-Backbone interact. energy: -1.236
local terms energy: -171.960671
where:
bonds (distance) C4'-P energy: -32.804
bonds (distance) P-C4' energy: -36.402
flat angles C4'-P-C4' energy: -34.746
flat angles P-C4'-P energy: -24.569
tors. eta vs tors. theta energy: -43.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -516.414901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.414901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.414901 (E_RNA)
where:
Base-Base interactions energy: -356.399
where: short stacking energy: -162.127
Base-Backbone interact. energy: -0.915
local terms energy: -159.101441
where:
bonds (distance) C4'-P energy: -34.497
bonds (distance) P-C4' energy: -30.914
flat angles C4'-P-C4' energy: -36.768
flat angles P-C4'-P energy: -19.081
tors. eta vs tors. theta energy: -37.841
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: 10
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -433.771097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.771097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.771097 (E_RNA)
where:
Base-Base interactions energy: -285.990
where: short stacking energy: -129.894
Base-Backbone interact. energy: -0.348
local terms energy: -147.432463
where:
bonds (distance) C4'-P energy: -36.046
bonds (distance) P-C4' energy: -27.856
flat angles C4'-P-C4' energy: -30.226
flat angles P-C4'-P energy: -18.096
tors. eta vs tors. theta energy: -35.208
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: 75
Temperature: 1.100000
Total energy: -420.052930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.052930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.052930 (E_RNA)
where:
Base-Base interactions energy: -272.712
where: short stacking energy: -131.677
Base-Backbone interact. energy: -1.380
local terms energy: -145.960421
where:
bonds (distance) C4'-P energy: -32.936
bonds (distance) P-C4' energy: -31.036
flat angles C4'-P-C4' energy: -32.026
flat angles P-C4'-P energy: -25.765
tors. eta vs tors. theta energy: -24.198
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: 8
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -404.627208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.627208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.627208 (E_RNA)
where:
Base-Base interactions energy: -247.632
where: short stacking energy: -121.125
Base-Backbone interact. energy: -0.295
local terms energy: -156.699603
where:
bonds (distance) C4'-P energy: -32.875
bonds (distance) P-C4' energy: -27.399
flat angles C4'-P-C4' energy: -36.501
flat angles P-C4'-P energy: -24.424
tors. eta vs tors. theta energy: -35.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -358.474052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.474052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.474052 (E_RNA)
where:
Base-Base interactions energy: -216.751
where: short stacking energy: -99.936
Base-Backbone interact. energy: -0.752
local terms energy: -140.970933
where:
bonds (distance) C4'-P energy: -35.938
bonds (distance) P-C4' energy: -39.195
flat angles C4'-P-C4' energy: -29.949
flat angles P-C4'-P energy: -15.915
tors. eta vs tors. theta energy: -19.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -298.965749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.965749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.965749 (E_RNA)
where:
Base-Base interactions energy: -192.116
where: short stacking energy: -94.757
Base-Backbone interact. energy: -0.326
local terms energy: -106.523749
where:
bonds (distance) C4'-P energy: -24.522
bonds (distance) P-C4' energy: -27.826
flat angles C4'-P-C4' energy: -28.864
flat angles P-C4'-P energy: -11.055
tors. eta vs tors. theta energy: -14.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -298.771930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.771930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.771930 (E_RNA)
where:
Base-Base interactions energy: -180.784
where: short stacking energy: -80.838
Base-Backbone interact. energy: -0.115
local terms energy: -117.873859
where:
bonds (distance) C4'-P energy: -35.734
bonds (distance) P-C4' energy: -26.851
flat angles C4'-P-C4' energy: -28.330
flat angles P-C4'-P energy: -19.773
tors. eta vs tors. theta energy: -7.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -196.804694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.804694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.804694 (E_RNA)
where:
Base-Base interactions energy: -99.683
where: short stacking energy: -67.875
Base-Backbone interact. energy: -0.077
local terms energy: -97.045002
where:
bonds (distance) C4'-P energy: -25.992
bonds (distance) P-C4' energy: -20.408
flat angles C4'-P-C4' energy: -32.870
flat angles P-C4'-P energy: -11.718
tors. eta vs tors. theta energy: -6.056
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: 6
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -547.558830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.558830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.558830 (E_RNA)
where:
Base-Base interactions energy: -377.262
where: short stacking energy: -165.769
Base-Backbone interact. energy: -0.899
local terms energy: -169.397826
where:
bonds (distance) C4'-P energy: -35.549
bonds (distance) P-C4' energy: -36.834
flat angles C4'-P-C4' energy: -35.481
flat angles P-C4'-P energy: -19.769
tors. eta vs tors. theta energy: -41.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -535.632077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.632077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.632077 (E_RNA)
where:
Base-Base interactions energy: -371.821
where: short stacking energy: -166.377
Base-Backbone interact. energy: -0.839
local terms energy: -162.971669
where:
bonds (distance) C4'-P energy: -29.969
bonds (distance) P-C4' energy: -33.227
flat angles C4'-P-C4' energy: -30.917
flat angles P-C4'-P energy: -25.750
tors. eta vs tors. theta energy: -43.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -517.672456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.672456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.672456 (E_RNA)
where:
Base-Base interactions energy: -350.421
where: short stacking energy: -148.733
Base-Backbone interact. energy: -1.047
local terms energy: -166.204291
where:
bonds (distance) C4'-P energy: -35.351
bonds (distance) P-C4' energy: -38.777
flat angles C4'-P-C4' energy: -35.876
flat angles P-C4'-P energy: -18.854
tors. eta vs tors. theta energy: -37.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -450.461458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.461458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.461458 (E_RNA)
where:
Base-Base interactions energy: -285.928
where: short stacking energy: -154.364
Base-Backbone interact. energy: -0.054
local terms energy: -164.479788
where:
bonds (distance) C4'-P energy: -31.670
bonds (distance) P-C4' energy: -30.136
flat angles C4'-P-C4' energy: -37.925
flat angles P-C4'-P energy: -24.056
tors. eta vs tors. theta energy: -40.693
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: 76
Temperature: 1.100000
Total energy: -416.972554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.972554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.972554 (E_RNA)
where:
Base-Base interactions energy: -260.615
where: short stacking energy: -133.414
Base-Backbone interact. energy: -0.354
local terms energy: -156.003892
where:
bonds (distance) C4'-P energy: -33.503
bonds (distance) P-C4' energy: -35.134
flat angles C4'-P-C4' energy: -37.629
flat angles P-C4'-P energy: -20.907
tors. eta vs tors. theta energy: -28.831
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: 76
Temperature: 1.150000
Total energy: -398.685518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.685518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.685518 (E_RNA)
where:
Base-Base interactions energy: -245.401
where: short stacking energy: -124.385
Base-Backbone interact. energy: 0.456
local terms energy: -153.740560
where:
bonds (distance) C4'-P energy: -31.035
bonds (distance) P-C4' energy: -30.264
flat angles C4'-P-C4' energy: -36.916
flat angles P-C4'-P energy: -27.339
tors. eta vs tors. theta energy: -28.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -355.572927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.572927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.572927 (E_RNA)
where:
Base-Base interactions energy: -219.281
where: short stacking energy: -95.356
Base-Backbone interact. energy: 1.561
local terms energy: -137.853125
where:
bonds (distance) C4'-P energy: -30.422
bonds (distance) P-C4' energy: -34.143
flat angles C4'-P-C4' energy: -34.802
flat angles P-C4'-P energy: -22.409
tors. eta vs tors. theta energy: -16.077
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: 76
Temperature: 1.250000
Total energy: -352.517881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.517881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.517881 (E_RNA)
where:
Base-Base interactions energy: -218.046
where: short stacking energy: -111.079
Base-Backbone interact. energy: 0.405
local terms energy: -134.876714
where:
bonds (distance) C4'-P energy: -25.334
bonds (distance) P-C4' energy: -33.258
flat angles C4'-P-C4' energy: -33.647
flat angles P-C4'-P energy: -20.793
tors. eta vs tors. theta energy: -21.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -304.114390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.114390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.114390 (E_RNA)
where:
Base-Base interactions energy: -183.525
where: short stacking energy: -83.688
Base-Backbone interact. energy: -0.675
local terms energy: -119.913610
where:
bonds (distance) C4'-P energy: -21.924
bonds (distance) P-C4' energy: -41.103
flat angles C4'-P-C4' energy: -20.228
flat angles P-C4'-P energy: -23.480
tors. eta vs tors. theta energy: -13.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -223.550375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.550375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.550375 (E_RNA)
where:
Base-Base interactions energy: -107.354
where: short stacking energy: -64.675
Base-Backbone interact. energy: -1.020
local terms energy: -115.176225
where:
bonds (distance) C4'-P energy: -28.866
bonds (distance) P-C4' energy: -34.331
flat angles C4'-P-C4' energy: -21.646
flat angles P-C4'-P energy: -22.046
tors. eta vs tors. theta energy: -8.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -553.065165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.065165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.065165 (E_RNA)
where:
Base-Base interactions energy: -378.282
where: short stacking energy: -172.898
Base-Backbone interact. energy: 0.395
local terms energy: -175.177966
where:
bonds (distance) C4'-P energy: -28.381
bonds (distance) P-C4' energy: -40.303
flat angles C4'-P-C4' energy: -35.415
flat angles P-C4'-P energy: -27.516
tors. eta vs tors. theta energy: -43.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -539.228467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.228467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.228467 (E_RNA)
where:
Base-Base interactions energy: -368.091
where: short stacking energy: -165.115
Base-Backbone interact. energy: -0.394
local terms energy: -170.743610
where:
bonds (distance) C4'-P energy: -31.533
bonds (distance) P-C4' energy: -36.060
flat angles C4'-P-C4' energy: -31.149
flat angles P-C4'-P energy: -27.005
tors. eta vs tors. theta energy: -44.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -525.105312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.105312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.105312 (E_RNA)
where:
Base-Base interactions energy: -357.038
where: short stacking energy: -147.872
Base-Backbone interact. energy: -1.404
local terms energy: -166.662850
where:
bonds (distance) C4'-P energy: -36.145
bonds (distance) P-C4' energy: -34.922
flat angles C4'-P-C4' energy: -36.366
flat angles P-C4'-P energy: -28.668
tors. eta vs tors. theta energy: -30.563
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: 4, replica: 8
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -444.899986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.899986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.899986 (E_RNA)
where:
Base-Base interactions energy: -276.315
where: short stacking energy: -149.605
Base-Backbone interact. energy: -0.179
local terms energy: -168.406291
where:
bonds (distance) C4'-P energy: -31.095
bonds (distance) P-C4' energy: -34.246
flat angles C4'-P-C4' energy: -37.444
flat angles P-C4'-P energy: -22.585
tors. eta vs tors. theta energy: -43.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -448.115649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.115649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.115649 (E_RNA)
where:
Base-Base interactions energy: -300.578
where: short stacking energy: -156.718
Base-Backbone interact. energy: -0.367
local terms energy: -147.170874
where:
bonds (distance) C4'-P energy: -25.589
bonds (distance) P-C4' energy: -28.630
flat angles C4'-P-C4' energy: -34.605
flat angles P-C4'-P energy: -16.680
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: 6, replica: 5
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -410.665002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.665002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.665002 (E_RNA)
where:
Base-Base interactions energy: -267.666
where: short stacking energy: -120.729
Base-Backbone interact. energy: -0.279
local terms energy: -142.719731
where:
bonds (distance) C4'-P energy: -30.754
bonds (distance) P-C4' energy: -33.374
flat angles C4'-P-C4' energy: -27.578
flat angles P-C4'-P energy: -20.855
tors. eta vs tors. theta energy: -30.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -363.813076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.813076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.813076 (E_RNA)
where:
Base-Base interactions energy: -226.722
where: short stacking energy: -96.872
Base-Backbone interact. energy: -0.446
local terms energy: -136.644786
where:
bonds (distance) C4'-P energy: -32.188
bonds (distance) P-C4' energy: -36.193
flat angles C4'-P-C4' energy: -32.323
flat angles P-C4'-P energy: -18.399
tors. eta vs tors. theta energy: -17.542
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: 3
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -300.317423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.317423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.317423 (E_RNA)
where:
Base-Base interactions energy: -180.679
where: short stacking energy: -99.131
Base-Backbone interact. energy: 0.019
local terms energy: -119.657896
where:
bonds (distance) C4'-P energy: -25.121
bonds (distance) P-C4' energy: -23.378
flat angles C4'-P-C4' energy: -36.899
flat angles P-C4'-P energy: -20.096
tors. eta vs tors. theta energy: -14.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -309.212475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.212475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.212475 (E_RNA)
where:
Base-Base interactions energy: -171.251
where: short stacking energy: -81.800
Base-Backbone interact. energy: -1.174
local terms energy: -136.787155
where:
bonds (distance) C4'-P energy: -28.395
bonds (distance) P-C4' energy: -33.435
flat angles C4'-P-C4' energy: -36.028
flat angles P-C4'-P energy: -19.012
tors. eta vs tors. theta energy: -19.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -202.434484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.434484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.434484 (E_RNA)
where:
Base-Base interactions energy: -114.343
where: short stacking energy: -71.392
Base-Backbone interact. energy: -0.560
local terms energy: -87.531350
where:
bonds (distance) C4'-P energy: -25.397
bonds (distance) P-C4' energy: -23.826
flat angles C4'-P-C4' energy: -13.134
flat angles P-C4'-P energy: -19.419
tors. eta vs tors. theta energy: -5.755
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: 9
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -541.907760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.907760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.907760 (E_RNA)
where:
Base-Base interactions energy: -373.019
where: short stacking energy: -168.307
Base-Backbone interact. energy: -0.614
local terms energy: -168.275046
where:
bonds (distance) C4'-P energy: -35.360
bonds (distance) P-C4' energy: -37.268
flat angles C4'-P-C4' energy: -28.444
flat angles P-C4'-P energy: -26.275
tors. eta vs tors. theta energy: -40.928
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: 6
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -530.087562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.087562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.087562 (E_RNA)
where:
Base-Base interactions energy: -366.275
where: short stacking energy: -165.584
Base-Backbone interact. energy: -0.531
local terms energy: -163.281732
where:
bonds (distance) C4'-P energy: -31.534
bonds (distance) P-C4' energy: -35.396
flat angles C4'-P-C4' energy: -32.047
flat angles P-C4'-P energy: -25.989
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: 3, replica: 4
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -523.004592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.004592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.004592 (E_RNA)
where:
Base-Base interactions energy: -358.574
where: short stacking energy: -153.476
Base-Backbone interact. energy: 1.093
local terms energy: -165.522650
where:
bonds (distance) C4'-P energy: -28.669
bonds (distance) P-C4' energy: -37.147
flat angles C4'-P-C4' energy: -33.658
flat angles P-C4'-P energy: -28.529
tors. eta vs tors. theta energy: -37.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -442.704549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.704549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.704549 (E_RNA)
where:
Base-Base interactions energy: -280.877
where: short stacking energy: -141.729
Base-Backbone interact. energy: -0.356
local terms energy: -161.471138
where:
bonds (distance) C4'-P energy: -34.275
bonds (distance) P-C4' energy: -32.977
flat angles C4'-P-C4' energy: -34.915
flat angles P-C4'-P energy: -22.506
tors. eta vs tors. theta energy: -36.798
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: 10
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -433.319093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.319093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.319093 (E_RNA)
where:
Base-Base interactions energy: -269.476
where: short stacking energy: -127.630
Base-Backbone interact. energy: -0.632
local terms energy: -163.210381
where:
bonds (distance) C4'-P energy: -36.129
bonds (distance) P-C4' energy: -33.075
flat angles C4'-P-C4' energy: -37.112
flat angles P-C4'-P energy: -25.036
tors. eta vs tors. theta energy: -31.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -420.897537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.897537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.897537 (E_RNA)
where:
Base-Base interactions energy: -264.514
where: short stacking energy: -132.488
Base-Backbone interact. energy: -0.386
local terms energy: -155.997935
where:
bonds (distance) C4'-P energy: -30.100
bonds (distance) P-C4' energy: -30.464
flat angles C4'-P-C4' energy: -33.812
flat angles P-C4'-P energy: -28.177
tors. eta vs tors. theta energy: -33.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -371.094872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.094872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.094872 (E_RNA)
where:
Base-Base interactions energy: -235.219
where: short stacking energy: -118.649
Base-Backbone interact. energy: 0.065
local terms energy: -135.940351
where:
bonds (distance) C4'-P energy: -34.076
bonds (distance) P-C4' energy: -29.496
flat angles C4'-P-C4' energy: -29.833
flat angles P-C4'-P energy: -17.885
tors. eta vs tors. theta energy: -24.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -310.966671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.966671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.966671 (E_RNA)
where:
Base-Base interactions energy: -190.707
where: short stacking energy: -103.198
Base-Backbone interact. energy: -0.342
local terms energy: -119.916967
where:
bonds (distance) C4'-P energy: -26.475
bonds (distance) P-C4' energy: -33.797
flat angles C4'-P-C4' energy: -25.907
flat angles P-C4'-P energy: -15.393
tors. eta vs tors. theta energy: -18.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -292.083737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.083737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.083737 (E_RNA)
where:
Base-Base interactions energy: -164.104
where: short stacking energy: -76.438
Base-Backbone interact. energy: 0.174
local terms energy: -128.153275
where:
bonds (distance) C4'-P energy: -32.521
bonds (distance) P-C4' energy: -35.380
flat angles C4'-P-C4' energy: -32.831
flat angles P-C4'-P energy: -20.926
tors. eta vs tors. theta energy: -6.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -161.488930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.488930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.488930 (E_RNA)
where:
Base-Base interactions energy: -47.882
where: short stacking energy: -47.203
Base-Backbone interact. energy: -0.358
local terms energy: -113.249339
where:
bonds (distance) C4'-P energy: -28.912
bonds (distance) P-C4' energy: -33.241
flat angles C4'-P-C4' energy: -23.667
flat angles P-C4'-P energy: -25.222
tors. eta vs tors. theta energy: -2.207
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: 1, replica: 9
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -537.468163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.468163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.468163 (E_RNA)
where:
Base-Base interactions energy: -374.475
where: short stacking energy: -165.047
Base-Backbone interact. energy: -0.450
local terms energy: -162.542565
where:
bonds (distance) C4'-P energy: -33.155
bonds (distance) P-C4' energy: -30.624
flat angles C4'-P-C4' energy: -34.669
flat angles P-C4'-P energy: -24.590
tors. eta vs tors. theta energy: -39.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -528.936437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.936437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.936437 (E_RNA)
where:
Base-Base interactions energy: -357.598
where: short stacking energy: -160.552
Base-Backbone interact. energy: 0.827
local terms energy: -172.165650
where:
bonds (distance) C4'-P energy: -30.631
bonds (distance) P-C4' energy: -40.071
flat angles C4'-P-C4' energy: -36.318
flat angles P-C4'-P energy: -28.305
tors. eta vs tors. theta energy: -36.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -524.051705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.051705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.051705 (E_RNA)
where:
Base-Base interactions energy: -366.699
where: short stacking energy: -165.076
Base-Backbone interact. energy: 0.390
local terms energy: -157.742592
where:
bonds (distance) C4'-P energy: -31.037
bonds (distance) P-C4' energy: -34.884
flat angles C4'-P-C4' energy: -31.224
flat angles P-C4'-P energy: -25.549
tors. eta vs tors. theta energy: -35.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -429.125366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.125366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.125366 (E_RNA)
where:
Base-Base interactions energy: -277.377
where: short stacking energy: -127.253
Base-Backbone interact. energy: -0.468
local terms energy: -151.280899
where:
bonds (distance) C4'-P energy: -34.769
bonds (distance) P-C4' energy: -28.693
flat angles C4'-P-C4' energy: -30.266
flat angles P-C4'-P energy: -25.044
tors. eta vs tors. theta energy: -32.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -435.882404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.882404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.882404 (E_RNA)
where:
Base-Base interactions energy: -281.452
where: short stacking energy: -142.916
Base-Backbone interact. energy: 0.020
local terms energy: -154.450780
where:
bonds (distance) C4'-P energy: -30.505
bonds (distance) P-C4' energy: -30.104
flat angles C4'-P-C4' energy: -36.469
flat angles P-C4'-P energy: -27.243
tors. eta vs tors. theta energy: -30.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -400.215340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.215340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.215340 (E_RNA)
where:
Base-Base interactions energy: -267.745
where: short stacking energy: -113.952
Base-Backbone interact. energy: 0.089
local terms energy: -132.559082
where:
bonds (distance) C4'-P energy: -34.898
bonds (distance) P-C4' energy: -24.686
flat angles C4'-P-C4' energy: -24.957
flat angles P-C4'-P energy: -21.012
tors. eta vs tors. theta energy: -27.006
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: 7, replica: 1
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -366.437198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.437198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.437198 (E_RNA)
where:
Base-Base interactions energy: -228.117
where: short stacking energy: -111.885
Base-Backbone interact. energy: -0.419
local terms energy: -137.901000
where:
bonds (distance) C4'-P energy: -35.003
bonds (distance) P-C4' energy: -34.571
flat angles C4'-P-C4' energy: -32.342
flat angles P-C4'-P energy: -14.355
tors. eta vs tors. theta energy: -21.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -312.351497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.351497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.351497 (E_RNA)
where:
Base-Base interactions energy: -192.408
where: short stacking energy: -91.487
Base-Backbone interact. energy: -0.410
local terms energy: -119.533725
where:
bonds (distance) C4'-P energy: -22.132
bonds (distance) P-C4' energy: -30.943
flat angles C4'-P-C4' energy: -37.000
flat angles P-C4'-P energy: -15.921
tors. eta vs tors. theta energy: -13.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -305.910128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.910128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.910128 (E_RNA)
where:
Base-Base interactions energy: -201.337
where: short stacking energy: -85.594
Base-Backbone interact. energy: 2.169
local terms energy: -106.741827
where:
bonds (distance) C4'-P energy: -31.390
bonds (distance) P-C4' energy: -33.956
flat angles C4'-P-C4' energy: -14.571
flat angles P-C4'-P energy: -17.077
tors. eta vs tors. theta energy: -9.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -211.417762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.417762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.417762 (E_RNA)
where:
Base-Base interactions energy: -100.126
where: short stacking energy: -63.287
Base-Backbone interact. energy: -0.789
local terms energy: -110.502204
where:
bonds (distance) C4'-P energy: -30.904
bonds (distance) P-C4' energy: -29.484
flat angles C4'-P-C4' energy: -32.498
flat angles P-C4'-P energy: -14.458
tors. eta vs tors. theta energy: -3.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -543.985023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.985023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.985023 (E_RNA)
where:
Base-Base interactions energy: -372.153
where: short stacking energy: -173.509
Base-Backbone interact. energy: -0.528
local terms energy: -171.303658
where:
bonds (distance) C4'-P energy: -39.668
bonds (distance) P-C4' energy: -29.369
flat angles C4'-P-C4' energy: -32.381
flat angles P-C4'-P energy: -24.964
tors. eta vs tors. theta energy: -44.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -540.981740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.981740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.981740 (E_RNA)
where:
Base-Base interactions energy: -360.686
where: short stacking energy: -170.886
Base-Backbone interact. energy: 0.834
local terms energy: -181.129521
where:
bonds (distance) C4'-P energy: -37.284
bonds (distance) P-C4' energy: -37.094
flat angles C4'-P-C4' energy: -38.967
flat angles P-C4'-P energy: -22.331
tors. eta vs tors. theta energy: -45.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -462.866844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.866844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.866844 (E_RNA)
where:
Base-Base interactions energy: -288.289
where: short stacking energy: -142.552
Base-Backbone interact. energy: -0.703
local terms energy: -173.874259
where:
bonds (distance) C4'-P energy: -35.379
bonds (distance) P-C4' energy: -37.812
flat angles C4'-P-C4' energy: -33.641
flat angles P-C4'-P energy: -28.436
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: 4, replica: 4
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -455.758068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.758068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.758068 (E_RNA)
where:
Base-Base interactions energy: -309.295
where: short stacking energy: -130.731
Base-Backbone interact. energy: 2.304
local terms energy: -148.767873
where:
bonds (distance) C4'-P energy: -31.741
bonds (distance) P-C4' energy: -38.052
flat angles C4'-P-C4' energy: -35.433
flat angles P-C4'-P energy: -23.151
tors. eta vs tors. theta energy: -20.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -459.538893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.538893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.538893 (E_RNA)
where:
Base-Base interactions energy: -303.911
where: short stacking energy: -150.703
Base-Backbone interact. energy: 3.308
local terms energy: -158.936174
where:
bonds (distance) C4'-P energy: -31.543
bonds (distance) P-C4' energy: -33.960
flat angles C4'-P-C4' energy: -36.461
flat angles P-C4'-P energy: -17.503
tors. eta vs tors. theta energy: -39.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -423.457351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.457351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.457351 (E_RNA)
where:
Base-Base interactions energy: -274.019
where: short stacking energy: -130.368
Base-Backbone interact. energy: -0.431
local terms energy: -149.008285
where:
bonds (distance) C4'-P energy: -33.420
bonds (distance) P-C4' energy: -34.755
flat angles C4'-P-C4' energy: -26.233
flat angles P-C4'-P energy: -18.862
tors. eta vs tors. theta energy: -35.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -360.241965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.241965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.241965 (E_RNA)
where:
Base-Base interactions energy: -224.350
where: short stacking energy: -116.489
Base-Backbone interact. energy: -0.145
local terms energy: -135.746738
where:
bonds (distance) C4'-P energy: -32.408
bonds (distance) P-C4' energy: -29.411
flat angles C4'-P-C4' energy: -26.568
flat angles P-C4'-P energy: -19.636
tors. eta vs tors. theta energy: -27.724
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: 7
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -303.555088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.555088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.555088 (E_RNA)
where:
Base-Base interactions energy: -184.082
where: short stacking energy: -89.231
Base-Backbone interact. energy: -0.304
local terms energy: -119.169051
where:
bonds (distance) C4'-P energy: -30.315
bonds (distance) P-C4' energy: -29.134
flat angles C4'-P-C4' energy: -35.128
flat angles P-C4'-P energy: -15.370
tors. eta vs tors. theta energy: -9.222
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: 3
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -305.051833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.051833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.051833 (E_RNA)
where:
Base-Base interactions energy: -193.981
where: short stacking energy: -102.476
Base-Backbone interact. energy: 3.408
local terms energy: -114.478587
where:
bonds (distance) C4'-P energy: -20.144
bonds (distance) P-C4' energy: -32.536
flat angles C4'-P-C4' energy: -27.862
flat angles P-C4'-P energy: -23.224
tors. eta vs tors. theta energy: -10.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -223.498934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.498934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.498934 (E_RNA)
where:
Base-Base interactions energy: -126.772
where: short stacking energy: -70.102
Base-Backbone interact. energy: -0.513
local terms energy: -96.213827
where:
bonds (distance) C4'-P energy: -30.793
bonds (distance) P-C4' energy: -27.507
flat angles C4'-P-C4' energy: -15.671
flat angles P-C4'-P energy: -16.053
tors. eta vs tors. theta energy: -6.190
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: 9
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -537.659345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.659345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.659345 (E_RNA)
where:
Base-Base interactions energy: -368.598
where: short stacking energy: -172.158
Base-Backbone interact. energy: 1.070
local terms energy: -170.131080
where:
bonds (distance) C4'-P energy: -31.964
bonds (distance) P-C4' energy: -31.840
flat angles C4'-P-C4' energy: -38.423
flat angles P-C4'-P energy: -26.804
tors. eta vs tors. theta energy: -41.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -552.748616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.748616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.748616 (E_RNA)
where:
Base-Base interactions energy: -366.341
where: short stacking energy: -169.669
Base-Backbone interact. energy: -1.873
local terms energy: -184.534748
where:
bonds (distance) C4'-P energy: -39.995
bonds (distance) P-C4' energy: -30.003
flat angles C4'-P-C4' energy: -40.089
flat angles P-C4'-P energy: -27.617
tors. eta vs tors. theta energy: -46.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -490.579780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.579780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.579780 (E_RNA)
where:
Base-Base interactions energy: -324.085
where: short stacking energy: -159.060
Base-Backbone interact. energy: -0.819
local terms energy: -165.675524
where:
bonds (distance) C4'-P energy: -29.005
bonds (distance) P-C4' energy: -31.766
flat angles C4'-P-C4' energy: -37.988
flat angles P-C4'-P energy: -22.543
tors. eta vs tors. theta energy: -44.374
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: 4
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -466.703571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.703571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.703571 (E_RNA)
where:
Base-Base interactions energy: -314.582
where: short stacking energy: -138.659
Base-Backbone interact. energy: 0.332
local terms energy: -152.453328
where:
bonds (distance) C4'-P energy: -28.802
bonds (distance) P-C4' energy: -32.950
flat angles C4'-P-C4' energy: -32.039
flat angles P-C4'-P energy: -23.563
tors. eta vs tors. theta energy: -35.099
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: 81
Temperature: 1.100000
Total energy: -456.890482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.890482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.890482 (E_RNA)
where:
Base-Base interactions energy: -295.394
where: short stacking energy: -141.289
Base-Backbone interact. energy: -1.297
local terms energy: -160.199243
where:
bonds (distance) C4'-P energy: -31.031
bonds (distance) P-C4' energy: -37.245
flat angles C4'-P-C4' energy: -29.810
flat angles P-C4'-P energy: -26.230
tors. eta vs tors. theta energy: -35.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -412.960692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.960692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.960692 (E_RNA)
where:
Base-Base interactions energy: -265.805
where: short stacking energy: -136.835
Base-Backbone interact. energy: -0.118
local terms energy: -147.037011
where:
bonds (distance) C4'-P energy: -30.470
bonds (distance) P-C4' energy: -29.842
flat angles C4'-P-C4' energy: -31.058
flat angles P-C4'-P energy: -21.487
tors. eta vs tors. theta energy: -34.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -377.556857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.556857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.556857 (E_RNA)
where:
Base-Base interactions energy: -235.340
where: short stacking energy: -115.445
Base-Backbone interact. energy: -1.469
local terms energy: -140.747204
where:
bonds (distance) C4'-P energy: -29.339
bonds (distance) P-C4' energy: -29.149
flat angles C4'-P-C4' energy: -35.273
flat angles P-C4'-P energy: -18.810
tors. eta vs tors. theta energy: -28.176
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: 8, replica: 3
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -310.748222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.748222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.748222 (E_RNA)
where:
Base-Base interactions energy: -185.040
where: short stacking energy: -96.122
Base-Backbone interact. energy: -1.029
local terms energy: -124.679137
where:
bonds (distance) C4'-P energy: -26.777
bonds (distance) P-C4' energy: -30.614
flat angles C4'-P-C4' energy: -28.743
flat angles P-C4'-P energy: -20.638
tors. eta vs tors. theta energy: -17.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -321.624758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.624758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.624758 (E_RNA)
where:
Base-Base interactions energy: -199.361
where: short stacking energy: -96.578
Base-Backbone interact. energy: -0.493
local terms energy: -121.770615
where:
bonds (distance) C4'-P energy: -28.549
bonds (distance) P-C4' energy: -38.143
flat angles C4'-P-C4' energy: -25.927
flat angles P-C4'-P energy: -14.709
tors. eta vs tors. theta energy: -14.442
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: 2
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -221.324260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.324260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.324260 (E_RNA)
where:
Base-Base interactions energy: -122.395
where: short stacking energy: -70.106
Base-Backbone interact. energy: -0.439
local terms energy: -98.491006
where:
bonds (distance) C4'-P energy: -25.345
bonds (distance) P-C4' energy: -32.842
flat angles C4'-P-C4' energy: -24.600
flat angles P-C4'-P energy: -9.880
tors. eta vs tors. theta energy: -5.825
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: 9
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -543.977722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.977722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.977722 (E_RNA)
where:
Base-Base interactions energy: -359.767
where: short stacking energy: -176.924
Base-Backbone interact. energy: -0.311
local terms energy: -183.899087
where:
bonds (distance) C4'-P energy: -37.834
bonds (distance) P-C4' energy: -39.082
flat angles C4'-P-C4' energy: -37.867
flat angles P-C4'-P energy: -20.072
tors. eta vs tors. theta energy: -49.044
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: 2, replica: 6
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -538.183745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.183745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.183745 (E_RNA)
where:
Base-Base interactions energy: -370.154
where: short stacking energy: -165.853
Base-Backbone interact. energy: -0.837
local terms energy: -167.192987
where:
bonds (distance) C4'-P energy: -29.729
bonds (distance) P-C4' energy: -35.609
flat angles C4'-P-C4' energy: -36.364
flat angles P-C4'-P energy: -25.629
tors. eta vs tors. theta energy: -39.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -499.621812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.621812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.621812 (E_RNA)
where:
Base-Base interactions energy: -331.162
where: short stacking energy: -158.023
Base-Backbone interact. energy: -1.120
local terms energy: -167.340250
where:
bonds (distance) C4'-P energy: -28.481
bonds (distance) P-C4' energy: -38.055
flat angles C4'-P-C4' energy: -32.890
flat angles P-C4'-P energy: -30.891
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: 4, replica: 8
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -470.590462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.590462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.590462 (E_RNA)
where:
Base-Base interactions energy: -308.977
where: short stacking energy: -160.869
Base-Backbone interact. energy: -0.319
local terms energy: -161.294368
where:
bonds (distance) C4'-P energy: -25.013
bonds (distance) P-C4' energy: -34.351
flat angles C4'-P-C4' energy: -37.481
flat angles P-C4'-P energy: -16.553
tors. eta vs tors. theta energy: -47.896
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: 5, replica: 10
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -410.325020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.325020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.325020 (E_RNA)
where:
Base-Base interactions energy: -262.526
where: short stacking energy: -130.516
Base-Backbone interact. energy: -0.372
local terms energy: -147.427031
where:
bonds (distance) C4'-P energy: -30.649
bonds (distance) P-C4' energy: -29.971
flat angles C4'-P-C4' energy: -33.688
flat angles P-C4'-P energy: -24.729
tors. eta vs tors. theta energy: -28.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -466.828934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.828934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.828934 (E_RNA)
where:
Base-Base interactions energy: -310.669
where: short stacking energy: -148.896
Base-Backbone interact. energy: 0.760
local terms energy: -156.919559
where:
bonds (distance) C4'-P energy: -27.044
bonds (distance) P-C4' energy: -34.100
flat angles C4'-P-C4' energy: -29.933
flat angles P-C4'-P energy: -23.902
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: 7, replica: 3
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -354.685407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.685407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.685407 (E_RNA)
where:
Base-Base interactions energy: -213.736
where: short stacking energy: -114.986
Base-Backbone interact. energy: -0.187
local terms energy: -140.763205
where:
bonds (distance) C4'-P energy: -27.996
bonds (distance) P-C4' energy: -29.364
flat angles C4'-P-C4' energy: -35.406
flat angles P-C4'-P energy: -21.437
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: 1
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -318.664879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.664879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.664879 (E_RNA)
where:
Base-Base interactions energy: -186.155
where: short stacking energy: -91.393
Base-Backbone interact. energy: -0.235
local terms energy: -132.275679
where:
bonds (distance) C4'-P energy: -27.712
bonds (distance) P-C4' energy: -35.181
flat angles C4'-P-C4' energy: -28.483
flat angles P-C4'-P energy: -21.252
tors. eta vs tors. theta energy: -19.648
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: 82
Temperature: 1.300000
Total energy: -298.407454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.407454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.407454 (E_RNA)
where:
Base-Base interactions energy: -173.255
where: short stacking energy: -79.128
Base-Backbone interact. energy: -0.686
local terms energy: -124.465690
where:
bonds (distance) C4'-P energy: -35.792
bonds (distance) P-C4' energy: -31.011
flat angles C4'-P-C4' energy: -28.239
flat angles P-C4'-P energy: -19.646
tors. eta vs tors. theta energy: -9.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -210.593505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.593505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.593505 (E_RNA)
where:
Base-Base interactions energy: -112.447
where: short stacking energy: -52.409
Base-Backbone interact. energy: -1.363
local terms energy: -96.783697
where:
bonds (distance) C4'-P energy: -28.933
bonds (distance) P-C4' energy: -25.912
flat angles C4'-P-C4' energy: -30.127
flat angles P-C4'-P energy: -15.127
tors. eta vs tors. theta energy: 3.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -533.115538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.115538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.115538 (E_RNA)
where:
Base-Base interactions energy: -361.572
where: short stacking energy: -172.279
Base-Backbone interact. energy: -1.551
local terms energy: -169.992691
where:
bonds (distance) C4'-P energy: -31.124
bonds (distance) P-C4' energy: -35.279
flat angles C4'-P-C4' energy: -28.160
flat angles P-C4'-P energy: -28.214
tors. eta vs tors. theta energy: -47.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -541.454476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.454476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.454476 (E_RNA)
where:
Base-Base interactions energy: -358.155
where: short stacking energy: -167.500
Base-Backbone interact. energy: -1.046
local terms energy: -182.253543
where:
bonds (distance) C4'-P energy: -30.709
bonds (distance) P-C4' energy: -34.300
flat angles C4'-P-C4' energy: -43.773
flat angles P-C4'-P energy: -26.457
tors. eta vs tors. theta energy: -47.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -482.070131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.070131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.070131 (E_RNA)
where:
Base-Base interactions energy: -321.775
where: short stacking energy: -142.298
Base-Backbone interact. energy: -0.708
local terms energy: -159.586466
where:
bonds (distance) C4'-P energy: -26.509
bonds (distance) P-C4' energy: -33.826
flat angles C4'-P-C4' energy: -37.114
flat angles P-C4'-P energy: -25.115
tors. eta vs tors. theta energy: -37.021
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: 4, replica: 8
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -449.863088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.863088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.863088 (E_RNA)
where:
Base-Base interactions energy: -294.901
where: short stacking energy: -141.837
Base-Backbone interact. energy: 0.510
local terms energy: -155.471624
where:
bonds (distance) C4'-P energy: -34.053
bonds (distance) P-C4' energy: -27.998
flat angles C4'-P-C4' energy: -33.199
flat angles P-C4'-P energy: -26.104
tors. eta vs tors. theta energy: -34.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -431.067740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.067740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.067740 (E_RNA)
where:
Base-Base interactions energy: -281.878
where: short stacking energy: -137.249
Base-Backbone interact. energy: -0.286
local terms energy: -148.903048
where:
bonds (distance) C4'-P energy: -32.519
bonds (distance) P-C4' energy: -30.703
flat angles C4'-P-C4' energy: -31.917
flat angles P-C4'-P energy: -20.765
tors. eta vs tors. theta energy: -32.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -480.166029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.166029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.166029 (E_RNA)
where:
Base-Base interactions energy: -321.533
where: short stacking energy: -154.140
Base-Backbone interact. energy: 0.090
local terms energy: -158.723253
where:
bonds (distance) C4'-P energy: -30.937
bonds (distance) P-C4' energy: -27.288
flat angles C4'-P-C4' energy: -32.644
flat angles P-C4'-P energy: -25.063
tors. eta vs tors. theta energy: -42.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -345.061389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.061389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.061389 (E_RNA)
where:
Base-Base interactions energy: -212.955
where: short stacking energy: -93.078
Base-Backbone interact. energy: 0.031
local terms energy: -132.137595
where:
bonds (distance) C4'-P energy: -30.887
bonds (distance) P-C4' energy: -38.126
flat angles C4'-P-C4' energy: -30.956
flat angles P-C4'-P energy: -17.868
tors. eta vs tors. theta energy: -14.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -353.851940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.851940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.851940 (E_RNA)
where:
Base-Base interactions energy: -219.360
where: short stacking energy: -100.671
Base-Backbone interact. energy: 0.414
local terms energy: -134.906314
where:
bonds (distance) C4'-P energy: -20.630
bonds (distance) P-C4' energy: -34.272
flat angles C4'-P-C4' energy: -33.201
flat angles P-C4'-P energy: -18.318
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: 9, replica: 7
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -317.216540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.216540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.216540 (E_RNA)
where:
Base-Base interactions energy: -195.021
where: short stacking energy: -86.592
Base-Backbone interact. energy: -1.065
local terms energy: -121.130450
where:
bonds (distance) C4'-P energy: -34.182
bonds (distance) P-C4' energy: -22.743
flat angles C4'-P-C4' energy: -27.062
flat angles P-C4'-P energy: -17.927
tors. eta vs tors. theta energy: -19.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -210.927601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.927601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.927601 (E_RNA)
where:
Base-Base interactions energy: -87.504
where: short stacking energy: -59.046
Base-Backbone interact. energy: 1.952
local terms energy: -125.375534
where:
bonds (distance) C4'-P energy: -32.283
bonds (distance) P-C4' energy: -32.434
flat angles C4'-P-C4' energy: -25.123
flat angles P-C4'-P energy: -25.984
tors. eta vs tors. theta energy: -9.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -570.119778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.119778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.119778 (E_RNA)
where:
Base-Base interactions energy: -389.795
where: short stacking energy: -183.881
Base-Backbone interact. energy: -1.131
local terms energy: -179.193815
where:
bonds (distance) C4'-P energy: -33.885
bonds (distance) P-C4' energy: -32.748
flat angles C4'-P-C4' energy: -39.096
flat angles P-C4'-P energy: -24.993
tors. eta vs tors. theta energy: -48.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -525.363190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.363190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.363190 (E_RNA)
where:
Base-Base interactions energy: -344.999
where: short stacking energy: -167.261
Base-Backbone interact. energy: -0.736
local terms energy: -179.627783
where:
bonds (distance) C4'-P energy: -34.827
bonds (distance) P-C4' energy: -36.957
flat angles C4'-P-C4' energy: -39.139
flat angles P-C4'-P energy: -25.602
tors. eta vs tors. theta energy: -43.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -503.960417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.960417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.960417 (E_RNA)
where:
Base-Base interactions energy: -337.924
where: short stacking energy: -147.482
Base-Backbone interact. energy: -1.251
local terms energy: -164.785611
where:
bonds (distance) C4'-P energy: -31.840
bonds (distance) P-C4' energy: -32.795
flat angles C4'-P-C4' energy: -35.204
flat angles P-C4'-P energy: -21.589
tors. eta vs tors. theta energy: -43.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -465.948982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.948982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.948982 (E_RNA)
where:
Base-Base interactions energy: -297.738
where: short stacking energy: -139.251
Base-Backbone interact. energy: -0.676
local terms energy: -167.534981
where:
bonds (distance) C4'-P energy: -32.444
bonds (distance) P-C4' energy: -39.700
flat angles C4'-P-C4' energy: -37.815
flat angles P-C4'-P energy: -25.787
tors. eta vs tors. theta energy: -31.790
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: 10
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -430.121971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.121971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.121971 (E_RNA)
where:
Base-Base interactions energy: -285.364
where: short stacking energy: -144.758
Base-Backbone interact. energy: -0.175
local terms energy: -144.582828
where:
bonds (distance) C4'-P energy: -29.460
bonds (distance) P-C4' energy: -27.975
flat angles C4'-P-C4' energy: -29.380
flat angles P-C4'-P energy: -22.010
tors. eta vs tors. theta energy: -35.758
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: 5
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -421.842742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.842742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.842742 (E_RNA)
where:
Base-Base interactions energy: -274.053
where: short stacking energy: -135.407
Base-Backbone interact. energy: -0.074
local terms energy: -147.714867
where:
bonds (distance) C4'-P energy: -27.322
bonds (distance) P-C4' energy: -27.823
flat angles C4'-P-C4' energy: -32.471
flat angles P-C4'-P energy: -19.594
tors. eta vs tors. theta energy: -40.504
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: 3
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -360.958284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.958284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.958284 (E_RNA)
where:
Base-Base interactions energy: -220.228
where: short stacking energy: -102.104
Base-Backbone interact. energy: 1.160
local terms energy: -141.890114
where:
bonds (distance) C4'-P energy: -34.021
bonds (distance) P-C4' energy: -29.325
flat angles C4'-P-C4' energy: -34.716
flat angles P-C4'-P energy: -23.060
tors. eta vs tors. theta energy: -20.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -312.690653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.690653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.690653 (E_RNA)
where:
Base-Base interactions energy: -190.011
where: short stacking energy: -91.945
Base-Backbone interact. energy: 1.469
local terms energy: -124.148712
where:
bonds (distance) C4'-P energy: -25.322
bonds (distance) P-C4' energy: -33.449
flat angles C4'-P-C4' energy: -31.111
flat angles P-C4'-P energy: -19.542
tors. eta vs tors. theta energy: -14.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -314.201058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.201058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.201058 (E_RNA)
where:
Base-Base interactions energy: -189.551
where: short stacking energy: -98.601
Base-Backbone interact. energy: -0.423
local terms energy: -124.226893
where:
bonds (distance) C4'-P energy: -26.838
bonds (distance) P-C4' energy: -28.967
flat angles C4'-P-C4' energy: -27.637
flat angles P-C4'-P energy: -22.860
tors. eta vs tors. theta energy: -17.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -203.993007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.993007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.993007 (E_RNA)
where:
Base-Base interactions energy: -92.162
where: short stacking energy: -59.057
Base-Backbone interact. energy: 1.256
local terms energy: -113.086625
where:
bonds (distance) C4'-P energy: -33.806
bonds (distance) P-C4' energy: -30.985
flat angles C4'-P-C4' energy: -36.772
flat angles P-C4'-P energy: -13.894
tors. eta vs tors. theta energy: 2.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -555.606401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.606401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.606401 (E_RNA)
where:
Base-Base interactions energy: -376.327
where: short stacking energy: -178.086
Base-Backbone interact. energy: -0.839
local terms energy: -178.440899
where:
bonds (distance) C4'-P energy: -34.556
bonds (distance) P-C4' energy: -35.544
flat angles C4'-P-C4' energy: -35.234
flat angles P-C4'-P energy: -26.577
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: 2, replica: 4
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -516.198700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.198700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.198700 (E_RNA)
where:
Base-Base interactions energy: -361.798
where: short stacking energy: -158.258
Base-Backbone interact. energy: 0.743
local terms energy: -155.143177
where:
bonds (distance) C4'-P energy: -23.076
bonds (distance) P-C4' energy: -38.070
flat angles C4'-P-C4' energy: -33.797
flat angles P-C4'-P energy: -23.435
tors. eta vs tors. theta energy: -36.765
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: 85
Temperature: 1.000000
Total energy: -512.683474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.683474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.683474 (E_RNA)
where:
Base-Base interactions energy: -335.806
where: short stacking energy: -156.186
Base-Backbone interact. energy: -0.935
local terms energy: -175.942087
where:
bonds (distance) C4'-P energy: -31.409
bonds (distance) P-C4' energy: -32.231
flat angles C4'-P-C4' energy: -37.432
flat angles P-C4'-P energy: -28.410
tors. eta vs tors. theta energy: -46.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -453.761802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.761802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.761802 (E_RNA)
where:
Base-Base interactions energy: -290.131
where: short stacking energy: -132.819
Base-Backbone interact. energy: -0.317
local terms energy: -163.312971
where:
bonds (distance) C4'-P energy: -29.564
bonds (distance) P-C4' energy: -39.815
flat angles C4'-P-C4' energy: -35.399
flat angles P-C4'-P energy: -24.260
tors. eta vs tors. theta energy: -34.274
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: 8
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -421.647691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.647691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.647691 (E_RNA)
where:
Base-Base interactions energy: -278.278
where: short stacking energy: -143.823
Base-Backbone interact. energy: -0.224
local terms energy: -143.145611
where:
bonds (distance) C4'-P energy: -31.252
bonds (distance) P-C4' energy: -28.220
flat angles C4'-P-C4' energy: -29.089
flat angles P-C4'-P energy: -21.108
tors. eta vs tors. theta energy: -33.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -428.923409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.923409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.923409 (E_RNA)
where:
Base-Base interactions energy: -286.550
where: short stacking energy: -138.542
Base-Backbone interact. energy: -0.336
local terms energy: -142.036992
where:
bonds (distance) C4'-P energy: -28.312
bonds (distance) P-C4' energy: -32.709
flat angles C4'-P-C4' energy: -30.665
flat angles P-C4'-P energy: -20.217
tors. eta vs tors. theta energy: -30.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -406.321069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.321069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.321069 (E_RNA)
where:
Base-Base interactions energy: -257.464
where: short stacking energy: -124.553
Base-Backbone interact. energy: -1.471
local terms energy: -147.386262
where:
bonds (distance) C4'-P energy: -34.543
bonds (distance) P-C4' energy: -31.240
flat angles C4'-P-C4' energy: -30.716
flat angles P-C4'-P energy: -23.047
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: 8, replica: 7
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -297.028643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.028643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.028643 (E_RNA)
where:
Base-Base interactions energy: -183.723
where: short stacking energy: -87.405
Base-Backbone interact. energy: -0.515
local terms energy: -112.790738
where:
bonds (distance) C4'-P energy: -25.991
bonds (distance) P-C4' energy: -26.688
flat angles C4'-P-C4' energy: -23.089
flat angles P-C4'-P energy: -23.285
tors. eta vs tors. theta energy: -13.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -300.161177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.161177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.161177 (E_RNA)
where:
Base-Base interactions energy: -179.775
where: short stacking energy: -91.520
Base-Backbone interact. energy: 1.024
local terms energy: -121.410710
where:
bonds (distance) C4'-P energy: -23.908
bonds (distance) P-C4' energy: -29.793
flat angles C4'-P-C4' energy: -23.630
flat angles P-C4'-P energy: -23.270
tors. eta vs tors. theta energy: -20.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -208.075664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.075664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.075664 (E_RNA)
where:
Base-Base interactions energy: -108.149
where: short stacking energy: -67.279
Base-Backbone interact. energy: 3.584
local terms energy: -103.510393
where:
bonds (distance) C4'-P energy: -19.256
bonds (distance) P-C4' energy: -37.246
flat angles C4'-P-C4' energy: -24.607
flat angles P-C4'-P energy: -17.511
tors. eta vs tors. theta energy: -4.891
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: 6
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -563.231909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.231909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.231909 (E_RNA)
where:
Base-Base interactions energy: -380.121
where: short stacking energy: -173.616
Base-Backbone interact. energy: 1.727
local terms energy: -184.838142
where:
bonds (distance) C4'-P energy: -35.334
bonds (distance) P-C4' energy: -35.858
flat angles C4'-P-C4' energy: -38.828
flat angles P-C4'-P energy: -25.322
tors. eta vs tors. theta energy: -49.495
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: 2, replica: 4
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -532.242403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.242403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.242403 (E_RNA)
where:
Base-Base interactions energy: -362.372
where: short stacking energy: -175.721
Base-Backbone interact. energy: -1.167
local terms energy: -168.702735
where:
bonds (distance) C4'-P energy: -30.342
bonds (distance) P-C4' energy: -26.748
flat angles C4'-P-C4' energy: -40.548
flat angles P-C4'-P energy: -25.503
tors. eta vs tors. theta energy: -45.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -522.341662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.341662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.341662 (E_RNA)
where:
Base-Base interactions energy: -353.586
where: short stacking energy: -159.080
Base-Backbone interact. energy: -0.927
local terms energy: -167.828930
where:
bonds (distance) C4'-P energy: -30.554
bonds (distance) P-C4' energy: -32.873
flat angles C4'-P-C4' energy: -32.941
flat angles P-C4'-P energy: -27.394
tors. eta vs tors. theta energy: -44.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -435.620645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.620645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.620645 (E_RNA)
where:
Base-Base interactions energy: -281.639
where: short stacking energy: -124.927
Base-Backbone interact. energy: -0.531
local terms energy: -153.450831
where:
bonds (distance) C4'-P energy: -31.845
bonds (distance) P-C4' energy: -33.876
flat angles C4'-P-C4' energy: -36.767
flat angles P-C4'-P energy: -25.502
tors. eta vs tors. theta energy: -25.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -426.222577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.222577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.222577 (E_RNA)
where:
Base-Base interactions energy: -283.126
where: short stacking energy: -139.244
Base-Backbone interact. energy: -0.215
local terms energy: -142.881311
where:
bonds (distance) C4'-P energy: -24.500
bonds (distance) P-C4' energy: -37.066
flat angles C4'-P-C4' energy: -28.393
flat angles P-C4'-P energy: -21.669
tors. eta vs tors. theta energy: -31.253
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: 8
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -409.140479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.140479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.140479 (E_RNA)
where:
Base-Base interactions energy: -263.039
where: short stacking energy: -132.749
Base-Backbone interact. energy: -0.304
local terms energy: -145.797662
where:
bonds (distance) C4'-P energy: -28.726
bonds (distance) P-C4' energy: -25.228
flat angles C4'-P-C4' energy: -32.591
flat angles P-C4'-P energy: -24.334
tors. eta vs tors. theta energy: -34.918
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: 3
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -399.822184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.822184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.822184 (E_RNA)
where:
Base-Base interactions energy: -250.091
where: short stacking energy: -129.693
Base-Backbone interact. energy: -0.294
local terms energy: -149.436757
where:
bonds (distance) C4'-P energy: -25.590
bonds (distance) P-C4' energy: -33.975
flat angles C4'-P-C4' energy: -27.554
flat angles P-C4'-P energy: -25.399
tors. eta vs tors. theta energy: -36.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -311.991339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.991339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.991339 (E_RNA)
where:
Base-Base interactions energy: -181.582
where: short stacking energy: -84.641
Base-Backbone interact. energy: -0.945
local terms energy: -129.464201
where:
bonds (distance) C4'-P energy: -29.093
bonds (distance) P-C4' energy: -30.245
flat angles C4'-P-C4' energy: -31.948
flat angles P-C4'-P energy: -20.106
tors. eta vs tors. theta energy: -18.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -325.422899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.422899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.422899 (E_RNA)
where:
Base-Base interactions energy: -198.198
where: short stacking energy: -100.824
Base-Backbone interact. energy: -2.193
local terms energy: -125.031262
where:
bonds (distance) C4'-P energy: -20.151
bonds (distance) P-C4' energy: -35.997
flat angles C4'-P-C4' energy: -28.766
flat angles P-C4'-P energy: -19.275
tors. eta vs tors. theta energy: -20.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -220.580425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.580425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.580425 (E_RNA)
where:
Base-Base interactions energy: -114.956
where: short stacking energy: -70.405
Base-Backbone interact. energy: 0.680
local terms energy: -106.303686
where:
bonds (distance) C4'-P energy: -28.850
bonds (distance) P-C4' energy: -34.618
flat angles C4'-P-C4' energy: -19.953
flat angles P-C4'-P energy: -18.539
tors. eta vs tors. theta energy: -4.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -550.425453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.425453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.425453 (E_RNA)
where:
Base-Base interactions energy: -371.069
where: short stacking energy: -166.949
Base-Backbone interact. energy: -1.018
local terms energy: -178.338783
where:
bonds (distance) C4'-P energy: -36.391
bonds (distance) P-C4' energy: -39.241
flat angles C4'-P-C4' energy: -30.830
flat angles P-C4'-P energy: -27.893
tors. eta vs tors. theta energy: -43.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -527.802704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.802704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.802704 (E_RNA)
where:
Base-Base interactions energy: -359.628
where: short stacking energy: -159.942
Base-Backbone interact. energy: -0.929
local terms energy: -167.245484
where:
bonds (distance) C4'-P energy: -26.305
bonds (distance) P-C4' energy: -37.333
flat angles C4'-P-C4' energy: -31.477
flat angles P-C4'-P energy: -26.590
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: 4
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -512.255498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.255498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.255498 (E_RNA)
where:
Base-Base interactions energy: -338.916
where: short stacking energy: -163.866
Base-Backbone interact. energy: -0.477
local terms energy: -172.862719
where:
bonds (distance) C4'-P energy: -36.219
bonds (distance) P-C4' energy: -29.784
flat angles C4'-P-C4' energy: -38.182
flat angles P-C4'-P energy: -25.316
tors. eta vs tors. theta energy: -43.361
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: 10
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -439.520855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.520855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.520855 (E_RNA)
where:
Base-Base interactions energy: -275.147
where: short stacking energy: -136.372
Base-Backbone interact. energy: 1.978
local terms energy: -166.351973
where:
bonds (distance) C4'-P energy: -30.807
bonds (distance) P-C4' energy: -37.587
flat angles C4'-P-C4' energy: -35.428
flat angles P-C4'-P energy: -26.372
tors. eta vs tors. theta energy: -36.158
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: 5, replica: 5
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -436.693535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.693535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.693535 (E_RNA)
where:
Base-Base interactions energy: -287.589
where: short stacking energy: -137.354
Base-Backbone interact. energy: -0.125
local terms energy: -148.979882
where:
bonds (distance) C4'-P energy: -29.626
bonds (distance) P-C4' energy: -29.497
flat angles C4'-P-C4' energy: -33.658
flat angles P-C4'-P energy: -28.724
tors. eta vs tors. theta energy: -27.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -362.978088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.978088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.978088 (E_RNA)
where:
Base-Base interactions energy: -222.268
where: short stacking energy: -112.955
Base-Backbone interact. energy: -0.155
local terms energy: -140.555885
where:
bonds (distance) C4'-P energy: -20.603
bonds (distance) P-C4' energy: -34.851
flat angles C4'-P-C4' energy: -37.060
flat angles P-C4'-P energy: -24.403
tors. eta vs tors. theta energy: -23.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -402.358985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.358985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.358985 (E_RNA)
where:
Base-Base interactions energy: -237.376
where: short stacking energy: -137.829
Base-Backbone interact. energy: -0.851
local terms energy: -164.131829
where:
bonds (distance) C4'-P energy: -36.829
bonds (distance) P-C4' energy: -33.017
flat angles C4'-P-C4' energy: -37.585
flat angles P-C4'-P energy: -19.965
tors. eta vs tors. theta energy: -36.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -348.668053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.668053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.668053 (E_RNA)
where:
Base-Base interactions energy: -216.289
where: short stacking energy: -105.988
Base-Backbone interact. energy: -0.693
local terms energy: -131.686478
where:
bonds (distance) C4'-P energy: -29.640
bonds (distance) P-C4' energy: -31.939
flat angles C4'-P-C4' energy: -33.526
flat angles P-C4'-P energy: -17.728
tors. eta vs tors. theta energy: -18.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -311.958643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.958643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.958643 (E_RNA)
where:
Base-Base interactions energy: -194.373
where: short stacking energy: -94.517
Base-Backbone interact. energy: 1.183
local terms energy: -118.768540
where:
bonds (distance) C4'-P energy: -32.361
bonds (distance) P-C4' energy: -33.453
flat angles C4'-P-C4' energy: -29.346
flat angles P-C4'-P energy: -13.579
tors. eta vs tors. theta energy: -10.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -219.417078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.417078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.417078 (E_RNA)
where:
Base-Base interactions energy: -120.472
where: short stacking energy: -62.915
Base-Backbone interact. energy: 1.246
local terms energy: -100.191217
where:
bonds (distance) C4'-P energy: -29.534
bonds (distance) P-C4' energy: -30.132
flat angles C4'-P-C4' energy: -24.173
flat angles P-C4'-P energy: -14.897
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: 9
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -546.890240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.890240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.890240 (E_RNA)
where:
Base-Base interactions energy: -369.217
where: short stacking energy: -165.638
Base-Backbone interact. energy: -0.621
local terms energy: -177.051918
where:
bonds (distance) C4'-P energy: -38.626
bonds (distance) P-C4' energy: -34.073
flat angles C4'-P-C4' energy: -34.412
flat angles P-C4'-P energy: -26.105
tors. eta vs tors. theta energy: -43.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -535.257757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.257757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.257757 (E_RNA)
where:
Base-Base interactions energy: -365.696
where: short stacking energy: -159.561
Base-Backbone interact. energy: -0.983
local terms energy: -168.578708
where:
bonds (distance) C4'-P energy: -36.828
bonds (distance) P-C4' energy: -33.862
flat angles C4'-P-C4' energy: -32.063
flat angles P-C4'-P energy: -23.680
tors. eta vs tors. theta energy: -42.146
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: 4
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -483.672773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.672773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.672773 (E_RNA)
where:
Base-Base interactions energy: -337.872
where: short stacking energy: -143.779
Base-Backbone interact. energy: -0.067
local terms energy: -145.733266
where:
bonds (distance) C4'-P energy: -27.083
bonds (distance) P-C4' energy: -31.714
flat angles C4'-P-C4' energy: -36.374
flat angles P-C4'-P energy: -26.063
tors. eta vs tors. theta energy: -24.500
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: 10
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -451.176892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.176892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.176892 (E_RNA)
where:
Base-Base interactions energy: -298.361
where: short stacking energy: -150.758
Base-Backbone interact. energy: -0.264
local terms energy: -152.551311
where:
bonds (distance) C4'-P energy: -31.676
bonds (distance) P-C4' energy: -30.520
flat angles C4'-P-C4' energy: -30.633
flat angles P-C4'-P energy: -22.744
tors. eta vs tors. theta energy: -36.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -456.173070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.173070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.173070 (E_RNA)
where:
Base-Base interactions energy: -301.268
where: short stacking energy: -151.682
Base-Backbone interact. energy: -0.134
local terms energy: -154.770859
where:
bonds (distance) C4'-P energy: -26.930
bonds (distance) P-C4' energy: -32.539
flat angles C4'-P-C4' energy: -38.878
flat angles P-C4'-P energy: -18.064
tors. eta vs tors. theta energy: -38.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -375.612429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.612429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.612429 (E_RNA)
where:
Base-Base interactions energy: -236.377
where: short stacking energy: -116.345
Base-Backbone interact. energy: -0.886
local terms energy: -138.349358
where:
bonds (distance) C4'-P energy: -30.999
bonds (distance) P-C4' energy: -34.430
flat angles C4'-P-C4' energy: -34.424
flat angles P-C4'-P energy: -13.721
tors. eta vs tors. theta energy: -24.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -380.171147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.171147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.171147 (E_RNA)
where:
Base-Base interactions energy: -236.053
where: short stacking energy: -116.807
Base-Backbone interact. energy: 0.553
local terms energy: -144.671099
where:
bonds (distance) C4'-P energy: -35.970
bonds (distance) P-C4' energy: -27.937
flat angles C4'-P-C4' energy: -31.942
flat angles P-C4'-P energy: -20.357
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: 8, replica: 1
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -316.371537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.371537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.371537 (E_RNA)
where:
Base-Base interactions energy: -181.328
where: short stacking energy: -93.199
Base-Backbone interact. energy: 1.592
local terms energy: -136.635631
where:
bonds (distance) C4'-P energy: -29.977
bonds (distance) P-C4' energy: -35.926
flat angles C4'-P-C4' energy: -27.090
flat angles P-C4'-P energy: -24.564
tors. eta vs tors. theta energy: -19.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -253.323907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.323907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.323907 (E_RNA)
where:
Base-Base interactions energy: -133.635
where: short stacking energy: -70.907
Base-Backbone interact. energy: -1.054
local terms energy: -118.634921
where:
bonds (distance) C4'-P energy: -26.464
bonds (distance) P-C4' energy: -34.053
flat angles C4'-P-C4' energy: -28.832
flat angles P-C4'-P energy: -23.273
tors. eta vs tors. theta energy: -6.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -294.332199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.332199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.332199 (E_RNA)
where:
Base-Base interactions energy: -179.833
where: short stacking energy: -76.426
Base-Backbone interact. energy: -1.166
local terms energy: -113.333066
where:
bonds (distance) C4'-P energy: -32.801
bonds (distance) P-C4' energy: -25.496
flat angles C4'-P-C4' energy: -31.341
flat angles P-C4'-P energy: -13.987
tors. eta vs tors. theta energy: -9.708
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: 9
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -553.434299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.434299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.434299 (E_RNA)
where:
Base-Base interactions energy: -368.465
where: short stacking energy: -179.656
Base-Backbone interact. energy: -1.618
local terms energy: -183.351462
where:
bonds (distance) C4'-P energy: -37.367
bonds (distance) P-C4' energy: -35.302
flat angles C4'-P-C4' energy: -33.105
flat angles P-C4'-P energy: -29.701
tors. eta vs tors. theta energy: -47.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -550.497855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.497855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.497855 (E_RNA)
where:
Base-Base interactions energy: -377.807
where: short stacking energy: -170.747
Base-Backbone interact. energy: -1.410
local terms energy: -171.280227
where:
bonds (distance) C4'-P energy: -32.445
bonds (distance) P-C4' energy: -32.241
flat angles C4'-P-C4' energy: -34.334
flat angles P-C4'-P energy: -25.367
tors. eta vs tors. theta energy: -46.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -464.776059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.776059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.776059 (E_RNA)
where:
Base-Base interactions energy: -311.563
where: short stacking energy: -131.882
Base-Backbone interact. energy: 2.367
local terms energy: -155.579878
where:
bonds (distance) C4'-P energy: -39.179
bonds (distance) P-C4' energy: -36.473
flat angles C4'-P-C4' energy: -30.759
flat angles P-C4'-P energy: -19.657
tors. eta vs tors. theta energy: -29.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -478.914474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.914474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.914474 (E_RNA)
where:
Base-Base interactions energy: -302.487
where: short stacking energy: -162.963
Base-Backbone interact. energy: -0.174
local terms energy: -176.254045
where:
bonds (distance) C4'-P energy: -32.089
bonds (distance) P-C4' energy: -32.761
flat angles C4'-P-C4' energy: -35.214
flat angles P-C4'-P energy: -26.925
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: 5, replica: 5
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -434.400869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.400869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.400869 (E_RNA)
where:
Base-Base interactions energy: -286.766
where: short stacking energy: -124.528
Base-Backbone interact. energy: -0.182
local terms energy: -147.452710
where:
bonds (distance) C4'-P energy: -33.687
bonds (distance) P-C4' energy: -30.154
flat angles C4'-P-C4' energy: -35.395
flat angles P-C4'-P energy: -16.986
tors. eta vs tors. theta energy: -31.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -379.150547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.150547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.150547 (E_RNA)
where:
Base-Base interactions energy: -250.342
where: short stacking energy: -120.268
Base-Backbone interact. energy: -0.741
local terms energy: -128.067174
where:
bonds (distance) C4'-P energy: -31.666
bonds (distance) P-C4' energy: -33.233
flat angles C4'-P-C4' energy: -22.848
flat angles P-C4'-P energy: -8.556
tors. eta vs tors. theta energy: -31.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -336.957914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.957914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.957914 (E_RNA)
where:
Base-Base interactions energy: -207.426
where: short stacking energy: -97.764
Base-Backbone interact. energy: -0.679
local terms energy: -128.852494
where:
bonds (distance) C4'-P energy: -29.107
bonds (distance) P-C4' energy: -28.054
flat angles C4'-P-C4' energy: -31.955
flat angles P-C4'-P energy: -18.179
tors. eta vs tors. theta energy: -21.557
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: 1
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -343.871375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.871375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.871375 (E_RNA)
where:
Base-Base interactions energy: -207.815
where: short stacking energy: -109.601
Base-Backbone interact. energy: 1.016
local terms energy: -137.072341
where:
bonds (distance) C4'-P energy: -30.035
bonds (distance) P-C4' energy: -40.151
flat angles C4'-P-C4' energy: -26.638
flat angles P-C4'-P energy: -18.799
tors. eta vs tors. theta energy: -21.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -267.298067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.298067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.298067 (E_RNA)
where:
Base-Base interactions energy: -149.359
where: short stacking energy: -69.986
Base-Backbone interact. energy: -0.814
local terms energy: -117.124701
where:
bonds (distance) C4'-P energy: -33.493
bonds (distance) P-C4' energy: -36.696
flat angles C4'-P-C4' energy: -33.521
flat angles P-C4'-P energy: -8.708
tors. eta vs tors. theta energy: -4.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -253.785851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.785851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.785851 (E_RNA)
where:
Base-Base interactions energy: -146.811
where: short stacking energy: -69.711
Base-Backbone interact. energy: -0.463
local terms energy: -106.511774
where:
bonds (distance) C4'-P energy: -27.314
bonds (distance) P-C4' energy: -35.360
flat angles C4'-P-C4' energy: -30.614
flat angles P-C4'-P energy: -7.797
tors. eta vs tors. theta energy: -5.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -554.580413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.580413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.580413 (E_RNA)
where:
Base-Base interactions energy: -373.785
where: short stacking energy: -179.313
Base-Backbone interact. energy: -0.552
local terms energy: -180.242965
where:
bonds (distance) C4'-P energy: -37.839
bonds (distance) P-C4' energy: -28.098
flat angles C4'-P-C4' energy: -39.814
flat angles P-C4'-P energy: -27.607
tors. eta vs tors. theta energy: -46.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -542.950830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.950830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.950830 (E_RNA)
where:
Base-Base interactions energy: -359.159
where: short stacking energy: -157.652
Base-Backbone interact. energy: -0.626
local terms energy: -183.165951
where:
bonds (distance) C4'-P energy: -33.257
bonds (distance) P-C4' energy: -38.686
flat angles C4'-P-C4' energy: -37.241
flat angles P-C4'-P energy: -30.686
tors. eta vs tors. theta energy: -43.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -463.080207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.080207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.080207 (E_RNA)
where:
Base-Base interactions energy: -307.309
where: short stacking energy: -150.291
Base-Backbone interact. energy: 0.405
local terms energy: -156.176329
where:
bonds (distance) C4'-P energy: -33.667
bonds (distance) P-C4' energy: -36.119
flat angles C4'-P-C4' energy: -27.776
flat angles P-C4'-P energy: -14.736
tors. eta vs tors. theta energy: -43.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -477.120802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.120802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.120802 (E_RNA)
where:
Base-Base interactions energy: -317.109
where: short stacking energy: -146.747
Base-Backbone interact. energy: 0.668
local terms energy: -160.680030
where:
bonds (distance) C4'-P energy: -39.209
bonds (distance) P-C4' energy: -30.054
flat angles C4'-P-C4' energy: -33.263
flat angles P-C4'-P energy: -23.256
tors. eta vs tors. theta energy: -34.898
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: 5, replica: 5
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -450.276053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.276053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.276053 (E_RNA)
where:
Base-Base interactions energy: -280.708
where: short stacking energy: -153.101
Base-Backbone interact. energy: -0.305
local terms energy: -169.263228
where:
bonds (distance) C4'-P energy: -28.059
bonds (distance) P-C4' energy: -32.523
flat angles C4'-P-C4' energy: -36.985
flat angles P-C4'-P energy: -24.920
tors. eta vs tors. theta energy: -46.777
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: 6, replica: 8
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -381.691999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.691999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.691999 (E_RNA)
where:
Base-Base interactions energy: -249.853
where: short stacking energy: -114.530
Base-Backbone interact. energy: 1.891
local terms energy: -133.729828
where:
bonds (distance) C4'-P energy: -25.858
bonds (distance) P-C4' energy: -35.449
flat angles C4'-P-C4' energy: -29.816
flat angles P-C4'-P energy: -16.046
tors. eta vs tors. theta energy: -26.561
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: 1
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -330.238456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.238456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.238456 (E_RNA)
where:
Base-Base interactions energy: -207.388
where: short stacking energy: -105.449
Base-Backbone interact. energy: -0.773
local terms energy: -122.078214
where:
bonds (distance) C4'-P energy: -29.604
bonds (distance) P-C4' energy: -29.987
flat angles C4'-P-C4' energy: -23.012
flat angles P-C4'-P energy: -24.286
tors. eta vs tors. theta energy: -15.190
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: 3
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -325.210989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.210989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.210989 (E_RNA)
where:
Base-Base interactions energy: -212.743
where: short stacking energy: -81.307
Base-Backbone interact. energy: 2.870
local terms energy: -115.337112
where:
bonds (distance) C4'-P energy: -33.843
bonds (distance) P-C4' energy: -28.939
flat angles C4'-P-C4' energy: -27.740
flat angles P-C4'-P energy: -12.864
tors. eta vs tors. theta energy: -11.952
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: 2
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -294.181903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.181903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.181903 (E_RNA)
where:
Base-Base interactions energy: -181.080
where: short stacking energy: -81.982
Base-Backbone interact. energy: -0.796
local terms energy: -112.305680
where:
bonds (distance) C4'-P energy: -23.614
bonds (distance) P-C4' energy: -26.334
flat angles C4'-P-C4' energy: -29.254
flat angles P-C4'-P energy: -17.508
tors. eta vs tors. theta energy: -15.595
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: 7
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -220.600396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.600396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.600396 (E_RNA)
where:
Base-Base interactions energy: -106.120
where: short stacking energy: -56.617
Base-Backbone interact. energy: -1.805
local terms energy: -112.675296
where:
bonds (distance) C4'-P energy: -29.198
bonds (distance) P-C4' energy: -32.664
flat angles C4'-P-C4' energy: -26.323
flat angles P-C4'-P energy: -18.152
tors. eta vs tors. theta energy: -6.338
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: 9
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -558.478219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.478219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.478219 (E_RNA)
where:
Base-Base interactions energy: -373.291
where: short stacking energy: -169.250
Base-Backbone interact. energy: -1.464
local terms energy: -183.722988
where:
bonds (distance) C4'-P energy: -36.794
bonds (distance) P-C4' energy: -39.662
flat angles C4'-P-C4' energy: -37.617
flat angles P-C4'-P energy: -23.257
tors. eta vs tors. theta energy: -46.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -536.126887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.126887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.126887 (E_RNA)
where:
Base-Base interactions energy: -364.793
where: short stacking energy: -153.118
Base-Backbone interact. energy: -0.492
local terms energy: -170.841382
where:
bonds (distance) C4'-P energy: -36.115
bonds (distance) P-C4' energy: -39.016
flat angles C4'-P-C4' energy: -35.576
flat angles P-C4'-P energy: -19.959
tors. eta vs tors. theta energy: -40.176
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: 10
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -461.298318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.298318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.298318 (E_RNA)
where:
Base-Base interactions energy: -294.349
where: short stacking energy: -163.794
Base-Backbone interact. energy: -0.293
local terms energy: -166.656802
where:
bonds (distance) C4'-P energy: -36.229
bonds (distance) P-C4' energy: -34.138
flat angles C4'-P-C4' energy: -34.860
flat angles P-C4'-P energy: -17.664
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: 4, replica: 4
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -474.692320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.692320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.692320 (E_RNA)
where:
Base-Base interactions energy: -333.924
where: short stacking energy: -155.856
Base-Backbone interact. energy: 1.030
local terms energy: -141.798497
where:
bonds (distance) C4'-P energy: -30.767
bonds (distance) P-C4' energy: -22.747
flat angles C4'-P-C4' energy: -30.534
flat angles P-C4'-P energy: -24.038
tors. eta vs tors. theta energy: -33.712
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: 5
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -471.071284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.071284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.071284 (E_RNA)
where:
Base-Base interactions energy: -302.820
where: short stacking energy: -151.063
Base-Backbone interact. energy: -0.452
local terms energy: -167.799582
where:
bonds (distance) C4'-P energy: -31.197
bonds (distance) P-C4' energy: -30.484
flat angles C4'-P-C4' energy: -40.062
flat angles P-C4'-P energy: -24.148
tors. eta vs tors. theta energy: -41.908
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: 91
Temperature: 1.150000
Total energy: -348.375008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.375008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.375008 (E_RNA)
where:
Base-Base interactions energy: -215.305
where: short stacking energy: -109.670
Base-Backbone interact. energy: -2.554
local terms energy: -130.515905
where:
bonds (distance) C4'-P energy: -30.245
bonds (distance) P-C4' energy: -28.419
flat angles C4'-P-C4' energy: -38.236
flat angles P-C4'-P energy: -14.921
tors. eta vs tors. theta energy: -18.695
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: 1
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -325.091038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.091038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.091038 (E_RNA)
where:
Base-Base interactions energy: -201.612
where: short stacking energy: -105.273
Base-Backbone interact. energy: -0.081
local terms energy: -123.397981
where:
bonds (distance) C4'-P energy: -27.902
bonds (distance) P-C4' energy: -31.191
flat angles C4'-P-C4' energy: -29.087
flat angles P-C4'-P energy: -23.123
tors. eta vs tors. theta energy: -12.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -308.430200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.430200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.430200 (E_RNA)
where:
Base-Base interactions energy: -183.028
where: short stacking energy: -80.709
Base-Backbone interact. energy: -0.404
local terms energy: -124.997886
where:
bonds (distance) C4'-P energy: -34.933
bonds (distance) P-C4' energy: -35.322
flat angles C4'-P-C4' energy: -33.516
flat angles P-C4'-P energy: -12.321
tors. eta vs tors. theta energy: -8.906
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: 2
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -285.221571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.221571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.221571 (E_RNA)
where:
Base-Base interactions energy: -165.144
where: short stacking energy: -83.454
Base-Backbone interact. energy: -0.189
local terms energy: -119.887999
where:
bonds (distance) C4'-P energy: -20.496
bonds (distance) P-C4' energy: -33.652
flat angles C4'-P-C4' energy: -31.003
flat angles P-C4'-P energy: -20.130
tors. eta vs tors. theta energy: -14.606
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: 7
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -228.345850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.345850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.345850 (E_RNA)
where:
Base-Base interactions energy: -128.509
where: short stacking energy: -73.044
Base-Backbone interact. energy: 0.174
local terms energy: -100.010259
where:
bonds (distance) C4'-P energy: -26.776
bonds (distance) P-C4' energy: -24.931
flat angles C4'-P-C4' energy: -30.244
flat angles P-C4'-P energy: -13.825
tors. eta vs tors. theta energy: -4.235
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: 1, replica: 9
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -551.305445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.305445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.305445 (E_RNA)
where:
Base-Base interactions energy: -375.056
where: short stacking energy: -167.341
Base-Backbone interact. energy: -1.126
local terms energy: -175.122775
where:
bonds (distance) C4'-P energy: -34.398
bonds (distance) P-C4' energy: -37.180
flat angles C4'-P-C4' energy: -37.498
flat angles P-C4'-P energy: -21.059
tors. eta vs tors. theta energy: -44.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -536.199860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.199860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.199860 (E_RNA)
where:
Base-Base interactions energy: -362.202
where: short stacking energy: -162.715
Base-Backbone interact. energy: -0.320
local terms energy: -173.677654
where:
bonds (distance) C4'-P energy: -34.624
bonds (distance) P-C4' energy: -32.101
flat angles C4'-P-C4' energy: -38.325
flat angles P-C4'-P energy: -23.717
tors. eta vs tors. theta energy: -44.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -499.319782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.319782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.319782 (E_RNA)
where:
Base-Base interactions energy: -342.845
where: short stacking energy: -144.484
Base-Backbone interact. energy: -0.235
local terms energy: -156.239858
where:
bonds (distance) C4'-P energy: -33.169
bonds (distance) P-C4' energy: -36.568
flat angles C4'-P-C4' energy: -28.366
flat angles P-C4'-P energy: -22.127
tors. eta vs tors. theta energy: -36.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -456.547693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.547693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.547693 (E_RNA)
where:
Base-Base interactions energy: -285.550
where: short stacking energy: -157.081
Base-Backbone interact. energy: 0.317
local terms energy: -171.314894
where:
bonds (distance) C4'-P energy: -33.515
bonds (distance) P-C4' energy: -32.073
flat angles C4'-P-C4' energy: -39.343
flat angles P-C4'-P energy: -23.630
tors. eta vs tors. theta energy: -42.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -453.807664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.807664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.807664 (E_RNA)
where:
Base-Base interactions energy: -289.046
where: short stacking energy: -136.822
Base-Backbone interact. energy: -0.501
local terms energy: -164.261072
where:
bonds (distance) C4'-P energy: -29.299
bonds (distance) P-C4' energy: -31.807
flat angles C4'-P-C4' energy: -36.499
flat angles P-C4'-P energy: -25.836
tors. eta vs tors. theta energy: -40.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -351.379054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.379054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.379054 (E_RNA)
where:
Base-Base interactions energy: -224.782
where: short stacking energy: -107.166
Base-Backbone interact. energy: -0.498
local terms energy: -126.099382
where:
bonds (distance) C4'-P energy: -22.263
bonds (distance) P-C4' energy: -31.556
flat angles C4'-P-C4' energy: -33.419
flat angles P-C4'-P energy: -20.590
tors. eta vs tors. theta energy: -18.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -307.625592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.625592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.625592 (E_RNA)
where:
Base-Base interactions energy: -207.457
where: short stacking energy: -91.295
Base-Backbone interact. energy: 1.670
local terms energy: -101.838288
where:
bonds (distance) C4'-P energy: -17.188
bonds (distance) P-C4' energy: -27.341
flat angles C4'-P-C4' energy: -30.357
flat angles P-C4'-P energy: -7.451
tors. eta vs tors. theta energy: -19.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -328.281817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.281817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.281817 (E_RNA)
where:
Base-Base interactions energy: -198.436
where: short stacking energy: -106.283
Base-Backbone interact. energy: -1.416
local terms energy: -128.429758
where:
bonds (distance) C4'-P energy: -29.079
bonds (distance) P-C4' energy: -33.119
flat angles C4'-P-C4' energy: -30.196
flat angles P-C4'-P energy: -13.121
tors. eta vs tors. theta energy: -22.915
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: 7
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -242.835835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.835835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.835835 (E_RNA)
where:
Base-Base interactions energy: -133.496
where: short stacking energy: -79.565
Base-Backbone interact. energy: 2.943
local terms energy: -112.282233
where:
bonds (distance) C4'-P energy: -27.047
bonds (distance) P-C4' energy: -29.878
flat angles C4'-P-C4' energy: -26.211
flat angles P-C4'-P energy: -18.985
tors. eta vs tors. theta energy: -10.161
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: 10, replica: 2
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -218.174178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.174178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.174178 (E_RNA)
where:
Base-Base interactions energy: -110.398
where: short stacking energy: -60.071
Base-Backbone interact. energy: -0.317
local terms energy: -107.458883
where:
bonds (distance) C4'-P energy: -30.466
bonds (distance) P-C4' energy: -23.444
flat angles C4'-P-C4' energy: -28.824
flat angles P-C4'-P energy: -17.304
tors. eta vs tors. theta energy: -7.420
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: 1, replica: 9
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -542.272424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.272424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.272424 (E_RNA)
where:
Base-Base interactions energy: -367.783
where: short stacking energy: -157.537
Base-Backbone interact. energy: -1.617
local terms energy: -172.872775
where:
bonds (distance) C4'-P energy: -25.489
bonds (distance) P-C4' energy: -35.411
flat angles C4'-P-C4' energy: -39.440
flat angles P-C4'-P energy: -27.386
tors. eta vs tors. theta energy: -45.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -529.981753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.981753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.981753 (E_RNA)
where:
Base-Base interactions energy: -373.579
where: short stacking energy: -169.413
Base-Backbone interact. energy: 0.513
local terms energy: -156.915315
where:
bonds (distance) C4'-P energy: -25.351
bonds (distance) P-C4' energy: -30.171
flat angles C4'-P-C4' energy: -35.960
flat angles P-C4'-P energy: -22.861
tors. eta vs tors. theta energy: -42.572
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: 4
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -507.300614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.300614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.300614 (E_RNA)
where:
Base-Base interactions energy: -345.099
where: short stacking energy: -158.107
Base-Backbone interact. energy: 0.023
local terms energy: -162.225096
where:
bonds (distance) C4'-P energy: -30.027
bonds (distance) P-C4' energy: -36.924
flat angles C4'-P-C4' energy: -38.627
flat angles P-C4'-P energy: -23.377
tors. eta vs tors. theta energy: -33.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -434.101820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.101820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.101820 (E_RNA)
where:
Base-Base interactions energy: -282.998
where: short stacking energy: -132.721
Base-Backbone interact. energy: -0.407
local terms energy: -150.696811
where:
bonds (distance) C4'-P energy: -33.983
bonds (distance) P-C4' energy: -25.452
flat angles C4'-P-C4' energy: -31.120
flat angles P-C4'-P energy: -24.206
tors. eta vs tors. theta energy: -35.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -418.199645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.199645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.199645 (E_RNA)
where:
Base-Base interactions energy: -270.141
where: short stacking energy: -142.752
Base-Backbone interact. energy: -0.920
local terms energy: -147.138508
where:
bonds (distance) C4'-P energy: -29.482
bonds (distance) P-C4' energy: -29.333
flat angles C4'-P-C4' energy: -32.355
flat angles P-C4'-P energy: -17.887
tors. eta vs tors. theta energy: -38.082
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: 93
Temperature: 1.150000
Total energy: -353.332968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.332968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.332968 (E_RNA)
where:
Base-Base interactions energy: -227.790
where: short stacking energy: -111.613
Base-Backbone interact. energy: 1.309
local terms energy: -126.852329
where:
bonds (distance) C4'-P energy: -21.925
bonds (distance) P-C4' energy: -35.708
flat angles C4'-P-C4' energy: -26.298
flat angles P-C4'-P energy: -20.229
tors. eta vs tors. theta energy: -22.693
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: 7, replica: 8
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -335.270747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.270747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.270747 (E_RNA)
where:
Base-Base interactions energy: -198.091
where: short stacking energy: -88.646
Base-Backbone interact. energy: -0.652
local terms energy: -136.528108
where:
bonds (distance) C4'-P energy: -35.073
bonds (distance) P-C4' energy: -36.843
flat angles C4'-P-C4' energy: -31.842
flat angles P-C4'-P energy: -21.386
tors. eta vs tors. theta energy: -11.384
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: 3
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -335.462409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.462409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.462409 (E_RNA)
where:
Base-Base interactions energy: -213.801
where: short stacking energy: -103.293
Base-Backbone interact. energy: 1.730
local terms energy: -123.390924
where:
bonds (distance) C4'-P energy: -21.841
bonds (distance) P-C4' energy: -32.687
flat angles C4'-P-C4' energy: -26.527
flat angles P-C4'-P energy: -19.530
tors. eta vs tors. theta energy: -22.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -232.664667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.664667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.664667 (E_RNA)
where:
Base-Base interactions energy: -124.439
where: short stacking energy: -75.496
Base-Backbone interact. energy: -0.595
local terms energy: -107.630509
where:
bonds (distance) C4'-P energy: -28.805
bonds (distance) P-C4' energy: -27.508
flat angles C4'-P-C4' energy: -24.325
flat angles P-C4'-P energy: -16.749
tors. eta vs tors. theta energy: -10.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -226.414344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.414344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.414344 (E_RNA)
where:
Base-Base interactions energy: -115.045
where: short stacking energy: -59.967
Base-Backbone interact. energy: -1.303
local terms energy: -110.066336
where:
bonds (distance) C4'-P energy: -29.694
bonds (distance) P-C4' energy: -25.705
flat angles C4'-P-C4' energy: -26.329
flat angles P-C4'-P energy: -17.376
tors. eta vs tors. theta energy: -10.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -541.501277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.501277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.501277 (E_RNA)
where:
Base-Base interactions energy: -372.469
where: short stacking energy: -180.226
Base-Backbone interact. energy: -1.883
local terms energy: -167.149179
where:
bonds (distance) C4'-P energy: -31.811
bonds (distance) P-C4' energy: -34.509
flat angles C4'-P-C4' energy: -37.391
flat angles P-C4'-P energy: -23.809
tors. eta vs tors. theta energy: -39.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -542.791877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.791877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.791877 (E_RNA)
where:
Base-Base interactions energy: -379.978
where: short stacking energy: -171.683
Base-Backbone interact. energy: -0.959
local terms energy: -161.854836
where:
bonds (distance) C4'-P energy: -28.123
bonds (distance) P-C4' energy: -30.551
flat angles C4'-P-C4' energy: -36.879
flat angles P-C4'-P energy: -25.922
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: 3, replica: 5
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -477.421601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.421601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.421601 (E_RNA)
where:
Base-Base interactions energy: -309.759
where: short stacking energy: -158.448
Base-Backbone interact. energy: -0.257
local terms energy: -167.405240
where:
bonds (distance) C4'-P energy: -27.910
bonds (distance) P-C4' energy: -32.780
flat angles C4'-P-C4' energy: -38.919
flat angles P-C4'-P energy: -27.834
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: 4, replica: 4
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -500.622748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.622748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.622748 (E_RNA)
where:
Base-Base interactions energy: -342.686
where: short stacking energy: -155.156
Base-Backbone interact. energy: -1.532
local terms energy: -156.404732
where:
bonds (distance) C4'-P energy: -32.063
bonds (distance) P-C4' energy: -36.250
flat angles C4'-P-C4' energy: -33.789
flat angles P-C4'-P energy: -20.034
tors. eta vs tors. theta energy: -34.270
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: 10
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -415.336029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.336029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.336029 (E_RNA)
where:
Base-Base interactions energy: -274.312
where: short stacking energy: -135.981
Base-Backbone interact. energy: -0.556
local terms energy: -140.468447
where:
bonds (distance) C4'-P energy: -28.302
bonds (distance) P-C4' energy: -29.455
flat angles C4'-P-C4' energy: -29.372
flat angles P-C4'-P energy: -16.948
tors. eta vs tors. theta energy: -36.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -381.352979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.352979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.352979 (E_RNA)
where:
Base-Base interactions energy: -236.333
where: short stacking energy: -125.476
Base-Backbone interact. energy: -1.362
local terms energy: -143.658075
where:
bonds (distance) C4'-P energy: -32.817
bonds (distance) P-C4' energy: -29.770
flat angles C4'-P-C4' energy: -33.301
flat angles P-C4'-P energy: -18.919
tors. eta vs tors. theta energy: -28.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -367.886197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.886197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.886197 (E_RNA)
where:
Base-Base interactions energy: -219.641
where: short stacking energy: -122.141
Base-Backbone interact. energy: -0.246
local terms energy: -147.998722
where:
bonds (distance) C4'-P energy: -31.753
bonds (distance) P-C4' energy: -38.482
flat angles C4'-P-C4' energy: -26.352
flat angles P-C4'-P energy: -23.951
tors. eta vs tors. theta energy: -27.461
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: 8, replica: 8
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -314.495235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.495235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.495235 (E_RNA)
where:
Base-Base interactions energy: -195.076
where: short stacking energy: -92.848
Base-Backbone interact. energy: -0.164
local terms energy: -119.255423
where:
bonds (distance) C4'-P energy: -29.313
bonds (distance) P-C4' energy: -26.040
flat angles C4'-P-C4' energy: -33.106
flat angles P-C4'-P energy: -16.695
tors. eta vs tors. theta energy: -14.101
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: 9, replica: 2
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -240.735034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.735034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.735034 (E_RNA)
where:
Base-Base interactions energy: -121.614
where: short stacking energy: -81.134
Base-Backbone interact. energy: -0.285
local terms energy: -118.835672
where:
bonds (distance) C4'-P energy: -36.568
bonds (distance) P-C4' energy: -26.318
flat angles C4'-P-C4' energy: -20.220
flat angles P-C4'-P energy: -17.145
tors. eta vs tors. theta energy: -18.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -227.129294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.129294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.129294 (E_RNA)
where:
Base-Base interactions energy: -126.061
where: short stacking energy: -70.250
Base-Backbone interact. energy: -0.336
local terms energy: -100.732845
where:
bonds (distance) C4'-P energy: -22.731
bonds (distance) P-C4' energy: -30.932
flat angles C4'-P-C4' energy: -29.495
flat angles P-C4'-P energy: -7.916
tors. eta vs tors. theta energy: -9.659
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: 95
Temperature: 0.900000
Total energy: -548.916639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.916639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.916639 (E_RNA)
where:
Base-Base interactions energy: -374.124
where: short stacking energy: -168.449
Base-Backbone interact. energy: -0.871
local terms energy: -173.921675
where:
bonds (distance) C4'-P energy: -38.230
bonds (distance) P-C4' energy: -35.369
flat angles C4'-P-C4' energy: -33.806
flat angles P-C4'-P energy: -28.660
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: 2, replica: 6
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -534.260575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.260575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.260575 (E_RNA)
where:
Base-Base interactions energy: -373.930
where: short stacking energy: -148.713
Base-Backbone interact. energy: 0.192
local terms energy: -160.523424
where:
bonds (distance) C4'-P energy: -37.147
bonds (distance) P-C4' energy: -28.349
flat angles C4'-P-C4' energy: -36.834
flat angles P-C4'-P energy: -23.492
tors. eta vs tors. theta energy: -34.702
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: 95
Temperature: 1.000000
Total energy: -484.095088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.095088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.095088 (E_RNA)
where:
Base-Base interactions energy: -303.919
where: short stacking energy: -170.920
Base-Backbone interact. energy: -0.091
local terms energy: -180.084356
where:
bonds (distance) C4'-P energy: -30.692
bonds (distance) P-C4' energy: -35.644
flat angles C4'-P-C4' energy: -41.841
flat angles P-C4'-P energy: -25.954
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: 4, replica: 4
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -504.820351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.820351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.820351 (E_RNA)
where:
Base-Base interactions energy: -342.456
where: short stacking energy: -159.519
Base-Backbone interact. energy: -0.127
local terms energy: -162.236997
where:
bonds (distance) C4'-P energy: -30.596
bonds (distance) P-C4' energy: -34.387
flat angles C4'-P-C4' energy: -34.481
flat angles P-C4'-P energy: -20.733
tors. eta vs tors. theta energy: -42.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -427.895290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.895290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.895290 (E_RNA)
where:
Base-Base interactions energy: -276.245
where: short stacking energy: -151.369
Base-Backbone interact. energy: -0.135
local terms energy: -151.515207
where:
bonds (distance) C4'-P energy: -30.271
bonds (distance) P-C4' energy: -31.082
flat angles C4'-P-C4' energy: -30.413
flat angles P-C4'-P energy: -22.112
tors. eta vs tors. theta energy: -37.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -388.528574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.528574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.528574 (E_RNA)
where:
Base-Base interactions energy: -239.808
where: short stacking energy: -121.459
Base-Backbone interact. energy: -0.661
local terms energy: -148.060045
where:
bonds (distance) C4'-P energy: -28.979
bonds (distance) P-C4' energy: -37.524
flat angles C4'-P-C4' energy: -31.411
flat angles P-C4'-P energy: -26.969
tors. eta vs tors. theta energy: -23.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -335.792978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.792978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.792978 (E_RNA)
where:
Base-Base interactions energy: -208.257
where: short stacking energy: -109.185
Base-Backbone interact. energy: -0.745
local terms energy: -126.791155
where:
bonds (distance) C4'-P energy: -24.550
bonds (distance) P-C4' energy: -35.580
flat angles C4'-P-C4' energy: -23.470
flat angles P-C4'-P energy: -21.972
tors. eta vs tors. theta energy: -21.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -316.506319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.506319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.506319 (E_RNA)
where:
Base-Base interactions energy: -182.910
where: short stacking energy: -95.790
Base-Backbone interact. energy: 0.663
local terms energy: -134.258389
where:
bonds (distance) C4'-P energy: -31.856
bonds (distance) P-C4' energy: -31.218
flat angles C4'-P-C4' energy: -29.492
flat angles P-C4'-P energy: -18.696
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: 9, replica: 2
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -239.746816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.746816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.746816 (E_RNA)
where:
Base-Base interactions energy: -124.504
where: short stacking energy: -84.258
Base-Backbone interact. energy: -0.345
local terms energy: -114.897488
where:
bonds (distance) C4'-P energy: -26.078
bonds (distance) P-C4' energy: -34.608
flat angles C4'-P-C4' energy: -21.559
flat angles P-C4'-P energy: -16.582
tors. eta vs tors. theta energy: -16.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -221.347837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.347837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.347837 (E_RNA)
where:
Base-Base interactions energy: -127.247
where: short stacking energy: -77.041
Base-Backbone interact. energy: -0.106
local terms energy: -93.994679
where:
bonds (distance) C4'-P energy: -20.114
bonds (distance) P-C4' energy: -26.032
flat angles C4'-P-C4' energy: -27.405
flat angles P-C4'-P energy: -23.334
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: 9
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -544.716472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.716472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.716472 (E_RNA)
where:
Base-Base interactions energy: -372.084
where: short stacking energy: -171.909
Base-Backbone interact. energy: -1.087
local terms energy: -171.545177
where:
bonds (distance) C4'-P energy: -33.295
bonds (distance) P-C4' energy: -37.635
flat angles C4'-P-C4' energy: -36.529
flat angles P-C4'-P energy: -23.460
tors. eta vs tors. theta energy: -40.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -527.359236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.359236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.359236 (E_RNA)
where:
Base-Base interactions energy: -356.025
where: short stacking energy: -151.213
Base-Backbone interact. energy: 1.363
local terms energy: -172.697148
where:
bonds (distance) C4'-P energy: -32.440
bonds (distance) P-C4' energy: -39.687
flat angles C4'-P-C4' energy: -33.029
flat angles P-C4'-P energy: -26.288
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: 3, replica: 4
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -513.679520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.679520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.679520 (E_RNA)
where:
Base-Base interactions energy: -354.468
where: short stacking energy: -154.737
Base-Backbone interact. energy: -0.328
local terms energy: -158.883118
where:
bonds (distance) C4'-P energy: -35.317
bonds (distance) P-C4' energy: -25.446
flat angles C4'-P-C4' energy: -34.363
flat angles P-C4'-P energy: -24.224
tors. eta vs tors. theta energy: -39.534
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: 4, replica: 5
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -464.501914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.501914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.501914 (E_RNA)
where:
Base-Base interactions energy: -293.959
where: short stacking energy: -153.377
Base-Backbone interact. energy: 0.225
local terms energy: -170.767929
where:
bonds (distance) C4'-P energy: -36.971
bonds (distance) P-C4' energy: -34.422
flat angles C4'-P-C4' energy: -34.230
flat angles P-C4'-P energy: -23.223
tors. eta vs tors. theta energy: -41.922
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: 10
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -425.059644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.059644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.059644 (E_RNA)
where:
Base-Base interactions energy: -274.337
where: short stacking energy: -143.167
Base-Backbone interact. energy: -0.453
local terms energy: -150.269880
where:
bonds (distance) C4'-P energy: -29.762
bonds (distance) P-C4' energy: -31.517
flat angles C4'-P-C4' energy: -32.273
flat angles P-C4'-P energy: -23.136
tors. eta vs tors. theta energy: -33.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -372.401105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.401105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.401105 (E_RNA)
where:
Base-Base interactions energy: -228.675
where: short stacking energy: -111.534
Base-Backbone interact. energy: -0.477
local terms energy: -143.248891
where:
bonds (distance) C4'-P energy: -25.133
bonds (distance) P-C4' energy: -35.819
flat angles C4'-P-C4' energy: -35.020
flat angles P-C4'-P energy: -21.512
tors. eta vs tors. theta energy: -25.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -332.783353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.783353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.783353 (E_RNA)
where:
Base-Base interactions energy: -198.328
where: short stacking energy: -93.020
Base-Backbone interact. energy: -0.997
local terms energy: -133.458319
where:
bonds (distance) C4'-P energy: -25.319
bonds (distance) P-C4' energy: -33.538
flat angles C4'-P-C4' energy: -38.645
flat angles P-C4'-P energy: -21.981
tors. eta vs tors. theta energy: -13.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -317.268781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.268781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.268781 (E_RNA)
where:
Base-Base interactions energy: -195.875
where: short stacking energy: -96.732
Base-Backbone interact. energy: -0.492
local terms energy: -120.902231
where:
bonds (distance) C4'-P energy: -27.668
bonds (distance) P-C4' energy: -29.477
flat angles C4'-P-C4' energy: -29.428
flat angles P-C4'-P energy: -16.720
tors. eta vs tors. theta energy: -17.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -245.407563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.407563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.407563 (E_RNA)
where:
Base-Base interactions energy: -135.616
where: short stacking energy: -84.362
Base-Backbone interact. energy: -1.162
local terms energy: -108.629895
where:
bonds (distance) C4'-P energy: -24.426
bonds (distance) P-C4' energy: -27.719
flat angles C4'-P-C4' energy: -27.831
flat angles P-C4'-P energy: -18.120
tors. eta vs tors. theta energy: -10.534
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: 2
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -218.150484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.150484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.150484 (E_RNA)
where:
Base-Base interactions energy: -114.118
where: short stacking energy: -67.091
Base-Backbone interact. energy: -0.322
local terms energy: -103.710620
where:
bonds (distance) C4'-P energy: -28.190
bonds (distance) P-C4' energy: -32.572
flat angles C4'-P-C4' energy: -21.725
flat angles P-C4'-P energy: -11.719
tors. eta vs tors. theta energy: -9.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -534.126052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.126052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.126052 (E_RNA)
where:
Base-Base interactions energy: -365.020
where: short stacking energy: -165.180
Base-Backbone interact. energy: 1.187
local terms energy: -170.293188
where:
bonds (distance) C4'-P energy: -28.912
bonds (distance) P-C4' energy: -38.769
flat angles C4'-P-C4' energy: -36.208
flat angles P-C4'-P energy: -29.077
tors. eta vs tors. theta energy: -37.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -546.127584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.127584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.127584 (E_RNA)
where:
Base-Base interactions energy: -376.052
where: short stacking energy: -162.443
Base-Backbone interact. energy: -1.089
local terms energy: -168.985924
where:
bonds (distance) C4'-P energy: -31.891
bonds (distance) P-C4' energy: -34.320
flat angles C4'-P-C4' energy: -39.001
flat angles P-C4'-P energy: -23.054
tors. eta vs tors. theta energy: -40.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -494.868806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.868806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.868806 (E_RNA)
where:
Base-Base interactions energy: -329.759
where: short stacking energy: -145.371
Base-Backbone interact. energy: -0.788
local terms energy: -164.322524
where:
bonds (distance) C4'-P energy: -29.149
bonds (distance) P-C4' energy: -38.778
flat angles C4'-P-C4' energy: -34.455
flat angles P-C4'-P energy: -27.077
tors. eta vs tors. theta energy: -34.864
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: 4, replica: 5
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -456.006548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.006548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.006548 (E_RNA)
where:
Base-Base interactions energy: -302.064
where: short stacking energy: -142.099
Base-Backbone interact. energy: -1.587
local terms energy: -152.354800
where:
bonds (distance) C4'-P energy: -30.708
bonds (distance) P-C4' energy: -32.179
flat angles C4'-P-C4' energy: -28.094
flat angles P-C4'-P energy: -23.309
tors. eta vs tors. theta energy: -38.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -423.153322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.153322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.153322 (E_RNA)
where:
Base-Base interactions energy: -276.668
where: short stacking energy: -142.565
Base-Backbone interact. energy: -1.293
local terms energy: -145.192498
where:
bonds (distance) C4'-P energy: -31.201
bonds (distance) P-C4' energy: -25.442
flat angles C4'-P-C4' energy: -29.055
flat angles P-C4'-P energy: -25.868
tors. eta vs tors. theta energy: -33.627
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: 6, replica: 1
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -371.695974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.695974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.695974 (E_RNA)
where:
Base-Base interactions energy: -219.014
where: short stacking energy: -100.994
Base-Backbone interact. energy: 0.755
local terms energy: -153.436478
where:
bonds (distance) C4'-P energy: -38.741
bonds (distance) P-C4' energy: -36.974
flat angles C4'-P-C4' energy: -30.593
flat angles P-C4'-P energy: -24.127
tors. eta vs tors. theta energy: -23.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -349.753342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.753342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.753342 (E_RNA)
where:
Base-Base interactions energy: -215.434
where: short stacking energy: -112.572
Base-Backbone interact. energy: -0.550
local terms energy: -133.768555
where:
bonds (distance) C4'-P energy: -32.286
bonds (distance) P-C4' energy: -31.267
flat angles C4'-P-C4' energy: -32.387
flat angles P-C4'-P energy: -19.034
tors. eta vs tors. theta energy: -18.794
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: 97
Temperature: 1.250000
Total energy: -234.000211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.000211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.000211 (E_RNA)
where:
Base-Base interactions energy: -117.345
where: short stacking energy: -76.346
Base-Backbone interact. energy: 1.050
local terms energy: -117.705215
where:
bonds (distance) C4'-P energy: -28.246
bonds (distance) P-C4' energy: -36.279
flat angles C4'-P-C4' energy: -22.439
flat angles P-C4'-P energy: -15.988
tors. eta vs tors. theta energy: -14.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -306.509684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.509684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.509684 (E_RNA)
where:
Base-Base interactions energy: -187.116
where: short stacking energy: -93.411
Base-Backbone interact. energy: -0.579
local terms energy: -118.814007
where:
bonds (distance) C4'-P energy: -19.112
bonds (distance) P-C4' energy: -28.131
flat angles C4'-P-C4' energy: -34.442
flat angles P-C4'-P energy: -22.599
tors. eta vs tors. theta energy: -14.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -212.978012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.978012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.978012 (E_RNA)
where:
Base-Base interactions energy: -108.676
where: short stacking energy: -61.686
Base-Backbone interact. energy: 3.022
local terms energy: -107.324002
where:
bonds (distance) C4'-P energy: -27.368
bonds (distance) P-C4' energy: -28.522
flat angles C4'-P-C4' energy: -23.268
flat angles P-C4'-P energy: -26.087
tors. eta vs tors. theta energy: -2.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -546.151447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.151447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.151447 (E_RNA)
where:
Base-Base interactions energy: -369.440
where: short stacking energy: -163.318
Base-Backbone interact. energy: -0.383
local terms energy: -176.327770
where:
bonds (distance) C4'-P energy: -39.251
bonds (distance) P-C4' energy: -34.723
flat angles C4'-P-C4' energy: -39.613
flat angles P-C4'-P energy: -24.961
tors. eta vs tors. theta energy: -37.780
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: 6
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -541.888156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.888156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.888156 (E_RNA)
where:
Base-Base interactions energy: -363.447
where: short stacking energy: -145.344
Base-Backbone interact. energy: 0.614
local terms energy: -179.054728
where:
bonds (distance) C4'-P energy: -37.678
bonds (distance) P-C4' energy: -42.113
flat angles C4'-P-C4' energy: -35.108
flat angles P-C4'-P energy: -25.285
tors. eta vs tors. theta energy: -38.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -501.299494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.299494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.299494 (E_RNA)
where:
Base-Base interactions energy: -330.471
where: short stacking energy: -155.130
Base-Backbone interact. energy: 0.010
local terms energy: -170.838403
where:
bonds (distance) C4'-P energy: -34.382
bonds (distance) P-C4' energy: -39.563
flat angles C4'-P-C4' energy: -35.143
flat angles P-C4'-P energy: -22.666
tors. eta vs tors. theta energy: -39.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -441.895327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.895327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.895327 (E_RNA)
where:
Base-Base interactions energy: -287.681
where: short stacking energy: -157.917
Base-Backbone interact. energy: 0.052
local terms energy: -154.266821
where:
bonds (distance) C4'-P energy: -26.298
bonds (distance) P-C4' energy: -32.247
flat angles C4'-P-C4' energy: -34.861
flat angles P-C4'-P energy: -22.630
tors. eta vs tors. theta energy: -38.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -440.760287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.760287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.760287 (E_RNA)
where:
Base-Base interactions energy: -276.306
where: short stacking energy: -144.639
Base-Backbone interact. energy: 0.996
local terms energy: -165.450202
where:
bonds (distance) C4'-P energy: -32.497
bonds (distance) P-C4' energy: -28.990
flat angles C4'-P-C4' energy: -38.608
flat angles P-C4'-P energy: -29.495
tors. eta vs tors. theta energy: -35.861
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: 6, replica: 1
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -398.405354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.405354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.405354 (E_RNA)
where:
Base-Base interactions energy: -250.451
where: short stacking energy: -130.010
Base-Backbone interact. energy: -0.979
local terms energy: -146.975593
where:
bonds (distance) C4'-P energy: -30.108
bonds (distance) P-C4' energy: -32.563
flat angles C4'-P-C4' energy: -28.414
flat angles P-C4'-P energy: -23.662
tors. eta vs tors. theta energy: -32.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -345.895489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.895489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.895489 (E_RNA)
where:
Base-Base interactions energy: -217.385
where: short stacking energy: -113.340
Base-Backbone interact. energy: -0.140
local terms energy: -128.370286
where:
bonds (distance) C4'-P energy: -20.101
bonds (distance) P-C4' energy: -33.692
flat angles C4'-P-C4' energy: -32.324
flat angles P-C4'-P energy: -21.319
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: 8, replica: 7
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -250.013719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.013719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.013719 (E_RNA)
where:
Base-Base interactions energy: -133.064
where: short stacking energy: -85.647
Base-Backbone interact. energy: -0.929
local terms energy: -116.020436
where:
bonds (distance) C4'-P energy: -24.308
bonds (distance) P-C4' energy: -33.259
flat angles C4'-P-C4' energy: -30.770
flat angles P-C4'-P energy: -18.944
tors. eta vs tors. theta energy: -8.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -330.960729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.960729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.960729 (E_RNA)
where:
Base-Base interactions energy: -210.033
where: short stacking energy: -111.236
Base-Backbone interact. energy: -0.392
local terms energy: -120.535628
where:
bonds (distance) C4'-P energy: -26.947
bonds (distance) P-C4' energy: -23.138
flat angles C4'-P-C4' energy: -25.778
flat angles P-C4'-P energy: -18.881
tors. eta vs tors. theta energy: -25.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -230.043932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.043932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.043932 (E_RNA)
where:
Base-Base interactions energy: -130.615
where: short stacking energy: -80.449
Base-Backbone interact. energy: 0.301
local terms energy: -99.729200
where:
bonds (distance) C4'-P energy: -23.926
bonds (distance) P-C4' energy: -24.454
flat angles C4'-P-C4' energy: -19.991
flat angles P-C4'-P energy: -24.412
tors. eta vs tors. theta energy: -6.946
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: 9
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -541.557615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.557615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.557615 (E_RNA)
where:
Base-Base interactions energy: -359.341
where: short stacking energy: -163.238
Base-Backbone interact. energy: -0.071
local terms energy: -182.145586
where:
bonds (distance) C4'-P energy: -36.293
bonds (distance) P-C4' energy: -33.838
flat angles C4'-P-C4' energy: -38.942
flat angles P-C4'-P energy: -27.003
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: 6
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -545.776200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.776200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.776200 (E_RNA)
where:
Base-Base interactions energy: -370.081
where: short stacking energy: -168.883
Base-Backbone interact. energy: -0.351
local terms energy: -175.344263
where:
bonds (distance) C4'-P energy: -31.807
bonds (distance) P-C4' energy: -39.727
flat angles C4'-P-C4' energy: -35.048
flat angles P-C4'-P energy: -24.841
tors. eta vs tors. theta energy: -43.922
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: 4
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -510.515407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.515407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.515407 (E_RNA)
where:
Base-Base interactions energy: -345.267
where: short stacking energy: -158.289
Base-Backbone interact. energy: -0.749
local terms energy: -164.499679
where:
bonds (distance) C4'-P energy: -33.187
bonds (distance) P-C4' energy: -33.782
flat angles C4'-P-C4' energy: -38.682
flat angles P-C4'-P energy: -26.198
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: 4, replica: 10
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -478.622580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.622580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.622580 (E_RNA)
where:
Base-Base interactions energy: -303.908
where: short stacking energy: -161.483
Base-Backbone interact. energy: -0.272
local terms energy: -174.442656
where:
bonds (distance) C4'-P energy: -35.900
bonds (distance) P-C4' energy: -26.182
flat angles C4'-P-C4' energy: -38.803
flat angles P-C4'-P energy: -27.243
tors. eta vs tors. theta energy: -46.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -463.639928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.639928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.639928 (E_RNA)
where:
Base-Base interactions energy: -287.090
where: short stacking energy: -156.941
Base-Backbone interact. energy: -0.111
local terms energy: -176.438326
where:
bonds (distance) C4'-P energy: -34.029
bonds (distance) P-C4' energy: -31.044
flat angles C4'-P-C4' energy: -39.101
flat angles P-C4'-P energy: -27.435
tors. eta vs tors. theta energy: -44.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -407.582760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.582760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.582760 (E_RNA)
where:
Base-Base interactions energy: -263.860
where: short stacking energy: -127.077
Base-Backbone interact. energy: 1.235
local terms energy: -144.956979
where:
bonds (distance) C4'-P energy: -28.272
bonds (distance) P-C4' energy: -29.000
flat angles C4'-P-C4' energy: -32.371
flat angles P-C4'-P energy: -26.341
tors. eta vs tors. theta energy: -28.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -351.954133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.954133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.954133 (E_RNA)
where:
Base-Base interactions energy: -221.428
where: short stacking energy: -116.166
Base-Backbone interact. energy: -0.527
local terms energy: -129.998993
where:
bonds (distance) C4'-P energy: -24.333
bonds (distance) P-C4' energy: -33.573
flat angles C4'-P-C4' energy: -33.150
flat angles P-C4'-P energy: -15.572
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: 8
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -354.457834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.457834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.457834 (E_RNA)
where:
Base-Base interactions energy: -232.303
where: short stacking energy: -114.486
Base-Backbone interact. energy: -0.321
local terms energy: -121.833232
where:
bonds (distance) C4'-P energy: -17.201
bonds (distance) P-C4' energy: -32.886
flat angles C4'-P-C4' energy: -25.571
flat angles P-C4'-P energy: -19.404
tors. eta vs tors. theta energy: -26.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -250.381279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.381279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.381279 (E_RNA)
where:
Base-Base interactions energy: -130.847
where: short stacking energy: -75.680
Base-Backbone interact. energy: -0.212
local terms energy: -119.322580
where:
bonds (distance) C4'-P energy: -29.974
bonds (distance) P-C4' energy: -34.705
flat angles C4'-P-C4' energy: -30.614
flat angles P-C4'-P energy: -18.286
tors. eta vs tors. theta energy: -5.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -249.859265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.859265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.859265 (E_RNA)
where:
Base-Base interactions energy: -129.988
where: short stacking energy: -65.148
Base-Backbone interact. energy: -0.242
local terms energy: -119.628719
where:
bonds (distance) C4'-P energy: -34.653
bonds (distance) P-C4' energy: -32.228
flat angles C4'-P-C4' energy: -26.696
flat angles P-C4'-P energy: -12.210
tors. eta vs tors. theta energy: -13.842
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: 1, replica: 6
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -547.501665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.501665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.501665 (E_RNA)
where:
Base-Base interactions energy: -369.204
where: short stacking energy: -156.712
Base-Backbone interact. energy: -0.592
local terms energy: -177.705676
where:
bonds (distance) C4'-P energy: -37.186
bonds (distance) P-C4' energy: -34.589
flat angles C4'-P-C4' energy: -39.260
flat angles P-C4'-P energy: -27.360
tors. eta vs tors. theta energy: -39.310
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: 2, replica: 9
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -524.434439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.434439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.434439 (E_RNA)
where:
Base-Base interactions energy: -347.298
where: short stacking energy: -163.635
Base-Backbone interact. energy: -1.867
local terms energy: -175.268753
where:
bonds (distance) C4'-P energy: -28.617
bonds (distance) P-C4' energy: -35.568
flat angles C4'-P-C4' energy: -37.905
flat angles P-C4'-P energy: -26.792
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: 3, replica: 10
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -489.324603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.324603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.324603 (E_RNA)
where:
Base-Base interactions energy: -316.397
where: short stacking energy: -173.094
Base-Backbone interact. energy: -0.120
local terms energy: -172.807514
where:
bonds (distance) C4'-P energy: -30.130
bonds (distance) P-C4' energy: -39.022
flat angles C4'-P-C4' energy: -28.669
flat angles P-C4'-P energy: -24.101
tors. eta vs tors. theta energy: -50.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -487.792526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.792526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.792526 (E_RNA)
where:
Base-Base interactions energy: -335.092
where: short stacking energy: -151.683
Base-Backbone interact. energy: -0.234
local terms energy: -152.466389
where:
bonds (distance) C4'-P energy: -29.261
bonds (distance) P-C4' energy: -34.664
flat angles C4'-P-C4' energy: -36.002
flat angles P-C4'-P energy: -22.491
tors. eta vs tors. theta energy: -30.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -380.818782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.818782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.818782 (E_RNA)
where:
Base-Base interactions energy: -242.306
where: short stacking energy: -120.936
Base-Backbone interact. energy: -0.987
local terms energy: -137.525990
where:
bonds (distance) C4'-P energy: -33.557
bonds (distance) P-C4' energy: -26.876
flat angles C4'-P-C4' energy: -30.310
flat angles P-C4'-P energy: -19.872
tors. eta vs tors. theta energy: -26.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -466.889889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.889889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.889889 (E_RNA)
where:
Base-Base interactions energy: -308.383
where: short stacking energy: -166.412
Base-Backbone interact. energy: -0.159
local terms energy: -158.348379
where:
bonds (distance) C4'-P energy: -25.398
bonds (distance) P-C4' energy: -35.042
flat angles C4'-P-C4' energy: -36.438
flat angles P-C4'-P energy: -21.890
tors. eta vs tors. theta energy: -39.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -337.593202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.593202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.593202 (E_RNA)
where:
Base-Base interactions energy: -208.349
where: short stacking energy: -97.026
Base-Backbone interact. energy: -0.069
local terms energy: -129.174925
where:
bonds (distance) C4'-P energy: -34.681
bonds (distance) P-C4' energy: -28.035
flat angles C4'-P-C4' energy: -32.291
flat angles P-C4'-P energy: -19.121
tors. eta vs tors. theta energy: -15.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -333.202984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.202984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.202984 (E_RNA)
where:
Base-Base interactions energy: -205.878
where: short stacking energy: -101.644
Base-Backbone interact. energy: -0.566
local terms energy: -126.758195
where:
bonds (distance) C4'-P energy: -32.292
bonds (distance) P-C4' energy: -38.634
flat angles C4'-P-C4' energy: -35.077
flat angles P-C4'-P energy: -3.345
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: 9, replica: 7
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -230.105763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.105763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.105763 (E_RNA)
where:
Base-Base interactions energy: -118.007
where: short stacking energy: -83.452
Base-Backbone interact. energy: 1.109
local terms energy: -113.207672
where:
bonds (distance) C4'-P energy: -27.283
bonds (distance) P-C4' energy: -24.649
flat angles C4'-P-C4' energy: -33.820
flat angles P-C4'-P energy: -12.616
tors. eta vs tors. theta energy: -14.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -225.889361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.889361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.889361 (E_RNA)
where:
Base-Base interactions energy: -111.074
where: short stacking energy: -56.814
Base-Backbone interact. energy: -1.615
local terms energy: -113.199790
where:
bonds (distance) C4'-P energy: -32.870
bonds (distance) P-C4' energy: -30.284
flat angles C4'-P-C4' energy: -26.768
flat angles P-C4'-P energy: -13.748
tors. eta vs tors. theta energy: -9.529
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: 6
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -557.064554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.064554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.064554 (E_RNA)
where:
Base-Base interactions energy: -384.538
where: short stacking energy: -169.173
Base-Backbone interact. energy: -0.900
local terms energy: -171.626877
where:
bonds (distance) C4'-P energy: -28.836
bonds (distance) P-C4' energy: -38.697
flat angles C4'-P-C4' energy: -35.180
flat angles P-C4'-P energy: -27.180
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: 2, replica: 9
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -516.600648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.600648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.600648 (E_RNA)
where:
Base-Base interactions energy: -334.228
where: short stacking energy: -166.704
Base-Backbone interact. energy: -0.827
local terms energy: -181.546350
where:
bonds (distance) C4'-P energy: -37.078
bonds (distance) P-C4' energy: -38.030
flat angles C4'-P-C4' energy: -37.476
flat angles P-C4'-P energy: -26.437
tors. eta vs tors. theta energy: -42.525
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: 10
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -456.358519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.358519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.358519 (E_RNA)
where:
Base-Base interactions energy: -294.878
where: short stacking energy: -155.704
Base-Backbone interact. energy: -0.149
local terms energy: -161.331657
where:
bonds (distance) C4'-P energy: -34.396
bonds (distance) P-C4' energy: -35.861
flat angles C4'-P-C4' energy: -34.669
flat angles P-C4'-P energy: -16.902
tors. eta vs tors. theta energy: -39.504
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: 4, replica: 4
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -494.489314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.489314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.489314 (E_RNA)
where:
Base-Base interactions energy: -336.698
where: short stacking energy: -141.261
Base-Backbone interact. energy: -0.759
local terms energy: -157.032519
where:
bonds (distance) C4'-P energy: -39.548
bonds (distance) P-C4' energy: -32.712
flat angles C4'-P-C4' energy: -36.027
flat angles P-C4'-P energy: -16.866
tors. eta vs tors. theta energy: -31.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -405.030311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.030311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.030311 (E_RNA)
where:
Base-Base interactions energy: -261.758
where: short stacking energy: -133.340
Base-Backbone interact. energy: -0.294
local terms energy: -142.978086
where:
bonds (distance) C4'-P energy: -31.386
bonds (distance) P-C4' energy: -29.259
flat angles C4'-P-C4' energy: -34.708
flat angles P-C4'-P energy: -13.554
tors. eta vs tors. theta energy: -34.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -434.311527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.311527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.311527 (E_RNA)
where:
Base-Base interactions energy: -285.226
where: short stacking energy: -147.914
Base-Backbone interact. energy: 0.029
local terms energy: -149.114114
where:
bonds (distance) C4'-P energy: -34.406
bonds (distance) P-C4' energy: -27.886
flat angles C4'-P-C4' energy: -36.870
flat angles P-C4'-P energy: -16.933
tors. eta vs tors. theta energy: -33.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -309.334068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.334068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.334068 (E_RNA)
where:
Base-Base interactions energy: -189.284
where: short stacking energy: -78.010
Base-Backbone interact. energy: 0.039
local terms energy: -120.088396
where:
bonds (distance) C4'-P energy: -18.067
bonds (distance) P-C4' energy: -31.829
flat angles C4'-P-C4' energy: -34.556
flat angles P-C4'-P energy: -16.607
tors. eta vs tors. theta energy: -19.030
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: 3
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -319.271244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.271244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.271244 (E_RNA)
where:
Base-Base interactions energy: -187.328
where: short stacking energy: -97.110
Base-Backbone interact. energy: -0.909
local terms energy: -131.034759
where:
bonds (distance) C4'-P energy: -26.569
bonds (distance) P-C4' energy: -34.882
flat angles C4'-P-C4' energy: -38.426
flat angles P-C4'-P energy: -18.178
tors. eta vs tors. theta energy: -12.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -232.739762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.739762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.739762 (E_RNA)
where:
Base-Base interactions energy: -129.909
where: short stacking energy: -89.654
Base-Backbone interact. energy: 0.280
local terms energy: -103.110399
where:
bonds (distance) C4'-P energy: -24.658
bonds (distance) P-C4' energy: -27.363
flat angles C4'-P-C4' energy: -28.492
flat angles P-C4'-P energy: -13.896
tors. eta vs tors. theta energy: -8.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -217.656531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.656531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.656531 (E_RNA)
where:
Base-Base interactions energy: -111.034
where: short stacking energy: -65.680
Base-Backbone interact. energy: 0.430
local terms energy: -107.052895
where:
bonds (distance) C4'-P energy: -24.213
bonds (distance) P-C4' energy: -32.560
flat angles C4'-P-C4' energy: -31.131
flat angles P-C4'-P energy: -17.227
tors. eta vs tors. theta energy: -1.922
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: 6
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -546.407554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.407554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.407554 (E_RNA)
where:
Base-Base interactions energy: -379.928
where: short stacking energy: -164.922
Base-Backbone interact. energy: -0.880
local terms energy: -165.599977
where:
bonds (distance) C4'-P energy: -30.266
bonds (distance) P-C4' energy: -31.727
flat angles C4'-P-C4' energy: -38.710
flat angles P-C4'-P energy: -27.906
tors. eta vs tors. theta energy: -36.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -533.193797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.193797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.193797 (E_RNA)
where:
Base-Base interactions energy: -376.831
where: short stacking energy: -161.908
Base-Backbone interact. energy: -0.647
local terms energy: -155.716367
where:
bonds (distance) C4'-P energy: -28.013
bonds (distance) P-C4' energy: -28.507
flat angles C4'-P-C4' energy: -41.292
flat angles P-C4'-P energy: -24.113
tors. eta vs tors. theta energy: -33.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -519.608069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.608069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.608069 (E_RNA)
where:
Base-Base interactions energy: -361.628
where: short stacking energy: -154.297
Base-Backbone interact. energy: -0.540
local terms energy: -157.440545
where:
bonds (distance) C4'-P energy: -35.836
bonds (distance) P-C4' energy: -25.355
flat angles C4'-P-C4' energy: -35.712
flat angles P-C4'-P energy: -23.579
tors. eta vs tors. theta energy: -36.960
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: 10
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -445.333242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.333242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.333242 (E_RNA)
where:
Base-Base interactions energy: -284.703
where: short stacking energy: -146.911
Base-Backbone interact. energy: -0.387
local terms energy: -160.242552
where:
bonds (distance) C4'-P energy: -33.028
bonds (distance) P-C4' energy: -33.962
flat angles C4'-P-C4' energy: -32.581
flat angles P-C4'-P energy: -23.619
tors. eta vs tors. theta energy: -37.053
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: 102
Temperature: 1.100000
Total energy: -434.332632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.332632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.332632 (E_RNA)
where:
Base-Base interactions energy: -282.212
where: short stacking energy: -142.510
Base-Backbone interact. energy: -0.402
local terms energy: -151.718738
where:
bonds (distance) C4'-P energy: -27.767
bonds (distance) P-C4' energy: -35.113
flat angles C4'-P-C4' energy: -33.589
flat angles P-C4'-P energy: -20.647
tors. eta vs tors. theta energy: -34.602
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: 1
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -382.300189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.300189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.300189 (E_RNA)
where:
Base-Base interactions energy: -234.593
where: short stacking energy: -121.595
Base-Backbone interact. energy: 1.965
local terms energy: -149.671881
where:
bonds (distance) C4'-P energy: -38.257
bonds (distance) P-C4' energy: -28.930
flat angles C4'-P-C4' energy: -27.890
flat angles P-C4'-P energy: -22.144
tors. eta vs tors. theta energy: -32.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -322.584835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.584835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.584835 (E_RNA)
where:
Base-Base interactions energy: -209.397
where: short stacking energy: -83.342
Base-Backbone interact. energy: 0.008
local terms energy: -113.196496
where:
bonds (distance) C4'-P energy: -19.436
bonds (distance) P-C4' energy: -34.168
flat angles C4'-P-C4' energy: -27.460
flat angles P-C4'-P energy: -22.375
tors. eta vs tors. theta energy: -9.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -295.756765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.756765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.756765 (E_RNA)
where:
Base-Base interactions energy: -181.529
where: short stacking energy: -77.160
Base-Backbone interact. energy: -0.399
local terms energy: -113.829025
where:
bonds (distance) C4'-P energy: -28.215
bonds (distance) P-C4' energy: -36.294
flat angles C4'-P-C4' energy: -31.705
flat angles P-C4'-P energy: -17.147
tors. eta vs tors. theta energy: -0.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -271.724161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.724161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.724161 (E_RNA)
where:
Base-Base interactions energy: -168.760
where: short stacking energy: -76.747
Base-Backbone interact. energy: -0.924
local terms energy: -102.040702
where:
bonds (distance) C4'-P energy: -23.740
bonds (distance) P-C4' energy: -29.688
flat angles C4'-P-C4' energy: -22.620
flat angles P-C4'-P energy: -20.027
tors. eta vs tors. theta energy: -5.965
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: 7
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -236.867904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.867904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.867904 (E_RNA)
where:
Base-Base interactions energy: -122.314
where: short stacking energy: -77.108
Base-Backbone interact. energy: -0.344
local terms energy: -114.209489
where:
bonds (distance) C4'-P energy: -24.648
bonds (distance) P-C4' energy: -28.772
flat angles C4'-P-C4' energy: -31.730
flat angles P-C4'-P energy: -17.972
tors. eta vs tors. theta energy: -11.088
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: 1, replica: 6
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -560.740120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.740120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.740120 (E_RNA)
where:
Base-Base interactions energy: -384.841
where: short stacking energy: -156.899
Base-Backbone interact. energy: -0.525
local terms energy: -175.373636
where:
bonds (distance) C4'-P energy: -38.699
bonds (distance) P-C4' energy: -32.254
flat angles C4'-P-C4' energy: -37.351
flat angles P-C4'-P energy: -30.801
tors. eta vs tors. theta energy: -36.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -520.337088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.337088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.337088 (E_RNA)
where:
Base-Base interactions energy: -342.885
where: short stacking energy: -147.178
Base-Backbone interact. energy: -1.407
local terms energy: -176.045145
where:
bonds (distance) C4'-P energy: -34.863
bonds (distance) P-C4' energy: -34.270
flat angles C4'-P-C4' energy: -40.939
flat angles P-C4'-P energy: -28.463
tors. eta vs tors. theta energy: -37.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -514.597043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.597043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.597043 (E_RNA)
where:
Base-Base interactions energy: -357.118
where: short stacking energy: -162.366
Base-Backbone interact. energy: -0.136
local terms energy: -157.342568
where:
bonds (distance) C4'-P energy: -31.749
bonds (distance) P-C4' energy: -30.744
flat angles C4'-P-C4' energy: -35.630
flat angles P-C4'-P energy: -22.556
tors. eta vs tors. theta energy: -36.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -465.124409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.124409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.124409 (E_RNA)
where:
Base-Base interactions energy: -311.856
where: short stacking energy: -153.351
Base-Backbone interact. energy: -0.446
local terms energy: -152.822074
where:
bonds (distance) C4'-P energy: -30.564
bonds (distance) P-C4' energy: -32.810
flat angles C4'-P-C4' energy: -38.917
flat angles P-C4'-P energy: -19.641
tors. eta vs tors. theta energy: -30.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -446.553171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.553171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.553171 (E_RNA)
where:
Base-Base interactions energy: -282.678
where: short stacking energy: -144.194
Base-Backbone interact. energy: 0.226
local terms energy: -164.101330
where:
bonds (distance) C4'-P energy: -28.739
bonds (distance) P-C4' energy: -36.530
flat angles C4'-P-C4' energy: -33.924
flat angles P-C4'-P energy: -22.990
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: 6, replica: 3
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -348.985984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.985984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.985984 (E_RNA)
where:
Base-Base interactions energy: -210.553
where: short stacking energy: -106.710
Base-Backbone interact. energy: 1.055
local terms energy: -139.487710
where:
bonds (distance) C4'-P energy: -27.171
bonds (distance) P-C4' energy: -31.162
flat angles C4'-P-C4' energy: -36.542
flat angles P-C4'-P energy: -24.218
tors. eta vs tors. theta energy: -20.395
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: 7, replica: 1
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -327.767321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.767321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.767321 (E_RNA)
where:
Base-Base interactions energy: -198.827
where: short stacking energy: -102.648
Base-Backbone interact. energy: -1.017
local terms energy: -127.923491
where:
bonds (distance) C4'-P energy: -26.275
bonds (distance) P-C4' energy: -29.252
flat angles C4'-P-C4' energy: -25.736
flat angles P-C4'-P energy: -23.134
tors. eta vs tors. theta energy: -23.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -315.567948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.567948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.567948 (E_RNA)
where:
Base-Base interactions energy: -178.760
where: short stacking energy: -85.475
Base-Backbone interact. energy: -0.060
local terms energy: -136.748092
where:
bonds (distance) C4'-P energy: -33.839
bonds (distance) P-C4' energy: -35.718
flat angles C4'-P-C4' energy: -28.704
flat angles P-C4'-P energy: -18.758
tors. eta vs tors. theta energy: -19.730
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: 2
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -219.091013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.091013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.091013 (E_RNA)
where:
Base-Base interactions energy: -109.317
where: short stacking energy: -52.681
Base-Backbone interact. energy: -1.300
local terms energy: -108.474480
where:
bonds (distance) C4'-P energy: -28.026
bonds (distance) P-C4' energy: -32.212
flat angles C4'-P-C4' energy: -25.815
flat angles P-C4'-P energy: -20.709
tors. eta vs tors. theta energy: -1.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -214.269453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.269453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.269453 (E_RNA)
where:
Base-Base interactions energy: -116.216
where: short stacking energy: -62.983
Base-Backbone interact. energy: -0.510
local terms energy: -97.543691
where:
bonds (distance) C4'-P energy: -31.216
bonds (distance) P-C4' energy: -25.655
flat angles C4'-P-C4' energy: -25.450
flat angles P-C4'-P energy: -13.005
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: 6
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -549.220401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.220401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.220401 (E_RNA)
where:
Base-Base interactions energy: -375.050
where: short stacking energy: -162.492
Base-Backbone interact. energy: -1.687
local terms energy: -172.483121
where:
bonds (distance) C4'-P energy: -36.382
bonds (distance) P-C4' energy: -32.914
flat angles C4'-P-C4' energy: -36.868
flat angles P-C4'-P energy: -25.003
tors. eta vs tors. theta energy: -41.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -520.337768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.337768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.337768 (E_RNA)
where:
Base-Base interactions energy: -352.780
where: short stacking energy: -156.587
Base-Backbone interact. energy: -0.874
local terms energy: -166.683989
where:
bonds (distance) C4'-P energy: -29.354
bonds (distance) P-C4' energy: -37.505
flat angles C4'-P-C4' energy: -34.541
flat angles P-C4'-P energy: -23.983
tors. eta vs tors. theta energy: -41.300
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: 4
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -518.794280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.794280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.794280 (E_RNA)
where:
Base-Base interactions energy: -373.216
where: short stacking energy: -152.410
Base-Backbone interact. energy: 0.333
local terms energy: -145.911160
where:
bonds (distance) C4'-P energy: -25.225
bonds (distance) P-C4' energy: -33.275
flat angles C4'-P-C4' energy: -30.535
flat angles P-C4'-P energy: -26.530
tors. eta vs tors. theta energy: -30.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -483.894072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.894072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.894072 (E_RNA)
where:
Base-Base interactions energy: -320.259
where: short stacking energy: -155.079
Base-Backbone interact. energy: 4.175
local terms energy: -167.809800
where:
bonds (distance) C4'-P energy: -37.147
bonds (distance) P-C4' energy: -29.594
flat angles C4'-P-C4' energy: -36.231
flat angles P-C4'-P energy: -24.780
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: 5, replica: 10
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -443.146496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.146496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.146496 (E_RNA)
where:
Base-Base interactions energy: -282.594
where: short stacking energy: -139.984
Base-Backbone interact. energy: -0.054
local terms energy: -160.498289
where:
bonds (distance) C4'-P energy: -34.919
bonds (distance) P-C4' energy: -31.385
flat angles C4'-P-C4' energy: -32.804
flat angles P-C4'-P energy: -28.489
tors. eta vs tors. theta energy: -32.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -385.608509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.608509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.608509 (E_RNA)
where:
Base-Base interactions energy: -230.510
where: short stacking energy: -120.568
Base-Backbone interact. energy: -0.685
local terms energy: -154.413552
where:
bonds (distance) C4'-P energy: -34.374
bonds (distance) P-C4' energy: -32.042
flat angles C4'-P-C4' energy: -40.261
flat angles P-C4'-P energy: -21.734
tors. eta vs tors. theta energy: -26.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -333.927552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.927552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.927552 (E_RNA)
where:
Base-Base interactions energy: -190.486
where: short stacking energy: -99.146
Base-Backbone interact. energy: -1.459
local terms energy: -141.982013
where:
bonds (distance) C4'-P energy: -29.949
bonds (distance) P-C4' energy: -32.324
flat angles C4'-P-C4' energy: -34.463
flat angles P-C4'-P energy: -23.051
tors. eta vs tors. theta energy: -22.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -323.453320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.453320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.453320 (E_RNA)
where:
Base-Base interactions energy: -201.685
where: short stacking energy: -98.548
Base-Backbone interact. energy: -0.323
local terms energy: -121.445362
where:
bonds (distance) C4'-P energy: -23.774
bonds (distance) P-C4' energy: -30.441
flat angles C4'-P-C4' energy: -31.406
flat angles P-C4'-P energy: -20.040
tors. eta vs tors. theta energy: -15.785
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: 7
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -218.318249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.318249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.318249 (E_RNA)
where:
Base-Base interactions energy: -99.405
where: short stacking energy: -55.861
Base-Backbone interact. energy: -1.269
local terms energy: -117.644398
where:
bonds (distance) C4'-P energy: -27.468
bonds (distance) P-C4' energy: -35.068
flat angles C4'-P-C4' energy: -28.123
flat angles P-C4'-P energy: -24.278
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: 10, replica: 2
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -167.675348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.675348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.675348 (E_RNA)
where:
Base-Base interactions energy: -69.323
where: short stacking energy: -55.430
Base-Backbone interact. energy: 1.816
local terms energy: -100.167853
where:
bonds (distance) C4'-P energy: -23.541
bonds (distance) P-C4' energy: -22.120
flat angles C4'-P-C4' energy: -30.738
flat angles P-C4'-P energy: -16.909
tors. eta vs tors. theta energy: -6.861
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: 6
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -561.388587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.388587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.388587 (E_RNA)
where:
Base-Base interactions energy: -393.055
where: short stacking energy: -163.404
Base-Backbone interact. energy: -0.738
local terms energy: -167.595711
where:
bonds (distance) C4'-P energy: -23.460
bonds (distance) P-C4' energy: -33.134
flat angles C4'-P-C4' energy: -43.173
flat angles P-C4'-P energy: -29.251
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: 2, replica: 4
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -533.276893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.276893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.276893 (E_RNA)
where:
Base-Base interactions energy: -364.901
where: short stacking energy: -144.152
Base-Backbone interact. energy: -0.778
local terms energy: -167.598542
where:
bonds (distance) C4'-P energy: -33.925
bonds (distance) P-C4' energy: -34.618
flat angles C4'-P-C4' energy: -37.086
flat angles P-C4'-P energy: -27.786
tors. eta vs tors. theta energy: -34.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -517.968493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.968493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.968493 (E_RNA)
where:
Base-Base interactions energy: -355.780
where: short stacking energy: -156.797
Base-Backbone interact. energy: -0.251
local terms energy: -161.937770
where:
bonds (distance) C4'-P energy: -35.213
bonds (distance) P-C4' energy: -30.619
flat angles C4'-P-C4' energy: -32.166
flat angles P-C4'-P energy: -23.167
tors. eta vs tors. theta energy: -40.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -463.325987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.325987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.325987 (E_RNA)
where:
Base-Base interactions energy: -303.200
where: short stacking energy: -148.558
Base-Backbone interact. energy: 0.484
local terms energy: -160.610434
where:
bonds (distance) C4'-P energy: -33.306
bonds (distance) P-C4' energy: -33.686
flat angles C4'-P-C4' energy: -36.390
flat angles P-C4'-P energy: -18.936
tors. eta vs tors. theta energy: -38.292
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: 5
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -455.144057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.144057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.144057 (E_RNA)
where:
Base-Base interactions energy: -288.862
where: short stacking energy: -146.028
Base-Backbone interact. energy: 0.846
local terms energy: -167.127961
where:
bonds (distance) C4'-P energy: -37.226
bonds (distance) P-C4' energy: -35.252
flat angles C4'-P-C4' energy: -28.596
flat angles P-C4'-P energy: -23.589
tors. eta vs tors. theta energy: -42.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -378.066625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.066625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.066625 (E_RNA)
where:
Base-Base interactions energy: -233.164
where: short stacking energy: -114.976
Base-Backbone interact. energy: 0.550
local terms energy: -145.452283
where:
bonds (distance) C4'-P energy: -30.351
bonds (distance) P-C4' energy: -41.054
flat angles C4'-P-C4' energy: -31.289
flat angles P-C4'-P energy: -18.863
tors. eta vs tors. theta energy: -23.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -325.710085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.710085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.710085 (E_RNA)
where:
Base-Base interactions energy: -189.984
where: short stacking energy: -88.464
Base-Backbone interact. energy: 0.001
local terms energy: -135.726981
where:
bonds (distance) C4'-P energy: -30.181
bonds (distance) P-C4' energy: -31.849
flat angles C4'-P-C4' energy: -31.869
flat angles P-C4'-P energy: -26.849
tors. eta vs tors. theta energy: -14.980
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: 1
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -325.706407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.706407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.706407 (E_RNA)
where:
Base-Base interactions energy: -190.614
where: short stacking energy: -85.970
Base-Backbone interact. energy: -0.809
local terms energy: -134.283843
where:
bonds (distance) C4'-P energy: -34.967
bonds (distance) P-C4' energy: -34.475
flat angles C4'-P-C4' energy: -25.245
flat angles P-C4'-P energy: -17.054
tors. eta vs tors. theta energy: -22.542
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: 9, replica: 7
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -244.836188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.836188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.836188 (E_RNA)
where:
Base-Base interactions energy: -143.595
where: short stacking energy: -88.139
Base-Backbone interact. energy: -0.559
local terms energy: -100.681779
where:
bonds (distance) C4'-P energy: -29.261
bonds (distance) P-C4' energy: -26.945
flat angles C4'-P-C4' energy: -28.050
flat angles P-C4'-P energy: -10.074
tors. eta vs tors. theta energy: -6.352
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: 10, replica: 2
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -167.692240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.692240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.692240 (E_RNA)
where:
Base-Base interactions energy: -76.284
where: short stacking energy: -59.212
Base-Backbone interact. energy: 0.954
local terms energy: -92.362512
where:
bonds (distance) C4'-P energy: -20.878
bonds (distance) P-C4' energy: -28.441
flat angles C4'-P-C4' energy: -30.867
flat angles P-C4'-P energy: -8.869
tors. eta vs tors. theta energy: -3.307
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: 1, replica: 6
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -541.659493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.659493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.659493 (E_RNA)
where:
Base-Base interactions energy: -369.822
where: short stacking energy: -160.540
Base-Backbone interact. energy: -1.452
local terms energy: -170.386115
where:
bonds (distance) C4'-P energy: -32.142
bonds (distance) P-C4' energy: -37.639
flat angles C4'-P-C4' energy: -38.779
flat angles P-C4'-P energy: -20.092
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: 2, replica: 4
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -531.205534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.205534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.205534 (E_RNA)
where:
Base-Base interactions energy: -355.505
where: short stacking energy: -156.939
Base-Backbone interact. energy: -0.029
local terms energy: -175.671527
where:
bonds (distance) C4'-P energy: -38.679
bonds (distance) P-C4' energy: -38.753
flat angles C4'-P-C4' energy: -39.554
flat angles P-C4'-P energy: -24.928
tors. eta vs tors. theta energy: -33.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -513.378035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.378035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.378035 (E_RNA)
where:
Base-Base interactions energy: -346.586
where: short stacking energy: -167.701
Base-Backbone interact. energy: 0.159
local terms energy: -166.951046
where:
bonds (distance) C4'-P energy: -30.263
bonds (distance) P-C4' energy: -37.586
flat angles C4'-P-C4' energy: -37.836
flat angles P-C4'-P energy: -12.966
tors. eta vs tors. theta energy: -48.300
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: 4, replica: 10
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -451.680489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.680489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.680489 (E_RNA)
where:
Base-Base interactions energy: -297.937
where: short stacking energy: -151.327
Base-Backbone interact. energy: -0.160
local terms energy: -153.583017
where:
bonds (distance) C4'-P energy: -25.188
bonds (distance) P-C4' energy: -36.473
flat angles C4'-P-C4' energy: -34.573
flat angles P-C4'-P energy: -15.779
tors. eta vs tors. theta energy: -41.571
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: 5
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -471.522382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.522382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.522382 (E_RNA)
where:
Base-Base interactions energy: -317.299
where: short stacking energy: -154.547
Base-Backbone interact. energy: -0.173
local terms energy: -154.051167
where:
bonds (distance) C4'-P energy: -30.532
bonds (distance) P-C4' energy: -28.161
flat angles C4'-P-C4' energy: -28.545
flat angles P-C4'-P energy: -26.655
tors. eta vs tors. theta energy: -40.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -348.118053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.118053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.118053 (E_RNA)
where:
Base-Base interactions energy: -218.677
where: short stacking energy: -104.095
Base-Backbone interact. energy: -0.710
local terms energy: -128.731404
where:
bonds (distance) C4'-P energy: -33.636
bonds (distance) P-C4' energy: -34.169
flat angles C4'-P-C4' energy: -29.475
flat angles P-C4'-P energy: -16.486
tors. eta vs tors. theta energy: -14.965
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: 7, replica: 1
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -333.558197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.558197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.558197 (E_RNA)
where:
Base-Base interactions energy: -210.200
where: short stacking energy: -96.614
Base-Backbone interact. energy: -0.347
local terms energy: -123.011042
where:
bonds (distance) C4'-P energy: -36.056
bonds (distance) P-C4' energy: -21.390
flat angles C4'-P-C4' energy: -28.541
flat angles P-C4'-P energy: -19.638
tors. eta vs tors. theta energy: -17.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -326.539621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.539621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.539621 (E_RNA)
where:
Base-Base interactions energy: -204.893
where: short stacking energy: -108.571
Base-Backbone interact. energy: 0.105
local terms energy: -121.751634
where:
bonds (distance) C4'-P energy: -29.059
bonds (distance) P-C4' energy: -30.495
flat angles C4'-P-C4' energy: -30.037
flat angles P-C4'-P energy: -16.561
tors. eta vs tors. theta energy: -15.599
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: 7
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -234.428500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.428500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.428500 (E_RNA)
where:
Base-Base interactions energy: -126.441
where: short stacking energy: -71.232
Base-Backbone interact. energy: 2.595
local terms energy: -110.582393
where:
bonds (distance) C4'-P energy: -18.522
bonds (distance) P-C4' energy: -31.953
flat angles C4'-P-C4' energy: -30.573
flat angles P-C4'-P energy: -24.979
tors. eta vs tors. theta energy: -4.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -150.591694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.591694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.591694 (E_RNA)
where:
Base-Base interactions energy: -52.887
where: short stacking energy: -50.977
Base-Backbone interact. energy: -0.712
local terms energy: -96.991960
where:
bonds (distance) C4'-P energy: -28.104
bonds (distance) P-C4' energy: -31.556
flat angles C4'-P-C4' energy: -28.238
flat angles P-C4'-P energy: -6.850
tors. eta vs tors. theta energy: -2.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -546.673928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.673928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.673928 (E_RNA)
where:
Base-Base interactions energy: -371.465
where: short stacking energy: -163.587
Base-Backbone interact. energy: 0.682
local terms energy: -175.890995
where:
bonds (distance) C4'-P energy: -37.416
bonds (distance) P-C4' energy: -33.168
flat angles C4'-P-C4' energy: -39.194
flat angles P-C4'-P energy: -25.948
tors. eta vs tors. theta energy: -40.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -537.946892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.946892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.946892 (E_RNA)
where:
Base-Base interactions energy: -356.980
where: short stacking energy: -171.853
Base-Backbone interact. energy: -1.476
local terms energy: -179.490720
where:
bonds (distance) C4'-P energy: -34.682
bonds (distance) P-C4' energy: -37.837
flat angles C4'-P-C4' energy: -39.265
flat angles P-C4'-P energy: -24.396
tors. eta vs tors. theta energy: -43.311
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: 3, replica: 4
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -506.994416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.994416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.994416 (E_RNA)
where:
Base-Base interactions energy: -349.120
where: short stacking energy: -150.030
Base-Backbone interact. energy: 0.122
local terms energy: -157.996439
where:
bonds (distance) C4'-P energy: -33.568
bonds (distance) P-C4' energy: -33.952
flat angles C4'-P-C4' energy: -32.309
flat angles P-C4'-P energy: -23.236
tors. eta vs tors. theta energy: -34.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -458.905744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.905744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.905744 (E_RNA)
where:
Base-Base interactions energy: -303.361
where: short stacking energy: -140.302
Base-Backbone interact. energy: -0.050
local terms energy: -155.495385
where:
bonds (distance) C4'-P energy: -32.063
bonds (distance) P-C4' energy: -34.853
flat angles C4'-P-C4' energy: -30.793
flat angles P-C4'-P energy: -22.613
tors. eta vs tors. theta energy: -35.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -434.249037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.249037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.249037 (E_RNA)
where:
Base-Base interactions energy: -275.769
where: short stacking energy: -130.039
Base-Backbone interact. energy: -0.761
local terms energy: -157.719018
where:
bonds (distance) C4'-P energy: -34.333
bonds (distance) P-C4' energy: -31.357
flat angles C4'-P-C4' energy: -35.784
flat angles P-C4'-P energy: -19.844
tors. eta vs tors. theta energy: -36.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -367.368857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.368857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.368857 (E_RNA)
where:
Base-Base interactions energy: -218.734
where: short stacking energy: -113.132
Base-Backbone interact. energy: 1.382
local terms energy: -150.016605
where:
bonds (distance) C4'-P energy: -36.432
bonds (distance) P-C4' energy: -34.260
flat angles C4'-P-C4' energy: -32.535
flat angles P-C4'-P energy: -20.593
tors. eta vs tors. theta energy: -26.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -338.668449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.668449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.668449 (E_RNA)
where:
Base-Base interactions energy: -218.399
where: short stacking energy: -103.462
Base-Backbone interact. energy: 0.764
local terms energy: -121.033146
where:
bonds (distance) C4'-P energy: -31.959
bonds (distance) P-C4' energy: -26.283
flat angles C4'-P-C4' energy: -30.410
flat angles P-C4'-P energy: -11.754
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: 8, replica: 8
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -305.067376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.067376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.067376 (E_RNA)
where:
Base-Base interactions energy: -178.103
where: short stacking energy: -89.944
Base-Backbone interact. energy: -1.372
local terms energy: -125.592380
where:
bonds (distance) C4'-P energy: -27.050
bonds (distance) P-C4' energy: -39.568
flat angles C4'-P-C4' energy: -26.708
flat angles P-C4'-P energy: -20.979
tors. eta vs tors. theta energy: -11.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -253.460258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.460258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.460258 (E_RNA)
where:
Base-Base interactions energy: -148.131
where: short stacking energy: -82.313
Base-Backbone interact. energy: -0.237
local terms energy: -105.092484
where:
bonds (distance) C4'-P energy: -26.645
bonds (distance) P-C4' energy: -24.095
flat angles C4'-P-C4' energy: -31.416
flat angles P-C4'-P energy: -8.212
tors. eta vs tors. theta energy: -14.725
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: 2
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -179.841021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.841021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.841021 (E_RNA)
where:
Base-Base interactions energy: -71.494
where: short stacking energy: -69.109
Base-Backbone interact. energy: -0.069
local terms energy: -108.278141
where:
bonds (distance) C4'-P energy: -36.692
bonds (distance) P-C4' energy: -28.219
flat angles C4'-P-C4' energy: -26.991
flat angles P-C4'-P energy: -11.938
tors. eta vs tors. theta energy: -4.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -531.291421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.291421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.291421 (E_RNA)
where:
Base-Base interactions energy: -368.586
where: short stacking energy: -170.440
Base-Backbone interact. energy: 1.392
local terms energy: -164.097780
where:
bonds (distance) C4'-P energy: -30.177
bonds (distance) P-C4' energy: -36.527
flat angles C4'-P-C4' energy: -33.175
flat angles P-C4'-P energy: -21.058
tors. eta vs tors. theta energy: -43.160
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: 6
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -521.773975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.773975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.773975 (E_RNA)
where:
Base-Base interactions energy: -355.672
where: short stacking energy: -154.450
Base-Backbone interact. energy: -0.575
local terms energy: -165.526695
where:
bonds (distance) C4'-P energy: -34.309
bonds (distance) P-C4' energy: -34.480
flat angles C4'-P-C4' energy: -33.656
flat angles P-C4'-P energy: -23.650
tors. eta vs tors. theta energy: -39.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -520.163528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.163528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.163528 (E_RNA)
where:
Base-Base interactions energy: -363.529
where: short stacking energy: -160.736
Base-Backbone interact. energy: -0.889
local terms energy: -155.745983
where:
bonds (distance) C4'-P energy: -28.611
bonds (distance) P-C4' energy: -25.125
flat angles C4'-P-C4' energy: -37.540
flat angles P-C4'-P energy: -25.420
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: 5
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -468.257068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.257068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.257068 (E_RNA)
where:
Base-Base interactions energy: -319.107
where: short stacking energy: -141.599
Base-Backbone interact. energy: -0.422
local terms energy: -148.728238
where:
bonds (distance) C4'-P energy: -36.704
bonds (distance) P-C4' energy: -31.974
flat angles C4'-P-C4' energy: -38.950
flat angles P-C4'-P energy: -8.524
tors. eta vs tors. theta energy: -32.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -437.135863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.135863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.135863 (E_RNA)
where:
Base-Base interactions energy: -265.562
where: short stacking energy: -130.785
Base-Backbone interact. energy: -0.195
local terms energy: -171.378993
where:
bonds (distance) C4'-P energy: -30.354
bonds (distance) P-C4' energy: -33.533
flat angles C4'-P-C4' energy: -42.987
flat angles P-C4'-P energy: -27.677
tors. eta vs tors. theta energy: -36.828
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: 3
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -361.154177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.154177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.154177 (E_RNA)
where:
Base-Base interactions energy: -213.795
where: short stacking energy: -115.314
Base-Backbone interact. energy: -0.158
local terms energy: -147.201248
where:
bonds (distance) C4'-P energy: -30.964
bonds (distance) P-C4' energy: -29.918
flat angles C4'-P-C4' energy: -34.675
flat angles P-C4'-P energy: -23.698
tors. eta vs tors. theta energy: -27.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -350.882590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.882590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.882590 (E_RNA)
where:
Base-Base interactions energy: -219.949
where: short stacking energy: -122.754
Base-Backbone interact. energy: -1.306
local terms energy: -129.627222
where:
bonds (distance) C4'-P energy: -29.161
bonds (distance) P-C4' energy: -22.662
flat angles C4'-P-C4' energy: -34.359
flat angles P-C4'-P energy: -20.254
tors. eta vs tors. theta energy: -23.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -321.625780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.625780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.625780 (E_RNA)
where:
Base-Base interactions energy: -208.857
where: short stacking energy: -98.484
Base-Backbone interact. energy: -0.643
local terms energy: -112.126275
where:
bonds (distance) C4'-P energy: -26.002
bonds (distance) P-C4' energy: -24.328
flat angles C4'-P-C4' energy: -29.148
flat angles P-C4'-P energy: -21.963
tors. eta vs tors. theta energy: -10.685
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: 9, replica: 7
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -232.799238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.799238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.799238 (E_RNA)
where:
Base-Base interactions energy: -119.146
where: short stacking energy: -67.339
Base-Backbone interact. energy: -1.125
local terms energy: -112.528840
where:
bonds (distance) C4'-P energy: -33.068
bonds (distance) P-C4' energy: -34.934
flat angles C4'-P-C4' energy: -29.897
flat angles P-C4'-P energy: -13.955
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: 10, replica: 2
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -188.893716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.893716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.893716 (E_RNA)
where:
Base-Base interactions energy: -97.771
where: short stacking energy: -56.922
Base-Backbone interact. energy: 1.465
local terms energy: -92.588133
where:
bonds (distance) C4'-P energy: -27.254
bonds (distance) P-C4' energy: -22.011
flat angles C4'-P-C4' energy: -29.203
flat angles P-C4'-P energy: -10.225
tors. eta vs tors. theta energy: -3.894
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: 109
Temperature: 0.900000
Total energy: -516.663865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.663865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.663865 (E_RNA)
where:
Base-Base interactions energy: -344.263
where: short stacking energy: -152.856
Base-Backbone interact. energy: -0.945
local terms energy: -171.455357
where:
bonds (distance) C4'-P energy: -33.773
bonds (distance) P-C4' energy: -38.914
flat angles C4'-P-C4' energy: -38.963
flat angles P-C4'-P energy: -20.786
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: 2, replica: 6
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -520.205045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.205045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.205045 (E_RNA)
where:
Base-Base interactions energy: -349.856
where: short stacking energy: -166.946
Base-Backbone interact. energy: -0.349
local terms energy: -170.000200
where:
bonds (distance) C4'-P energy: -27.878
bonds (distance) P-C4' energy: -34.818
flat angles C4'-P-C4' energy: -36.358
flat angles P-C4'-P energy: -26.123
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: 3, replica: 4
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -508.009711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.009711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.009711 (E_RNA)
where:
Base-Base interactions energy: -347.423
where: short stacking energy: -149.206
Base-Backbone interact. energy: -0.534
local terms energy: -160.053094
where:
bonds (distance) C4'-P energy: -39.110
bonds (distance) P-C4' energy: -33.739
flat angles C4'-P-C4' energy: -32.034
flat angles P-C4'-P energy: -23.170
tors. eta vs tors. theta energy: -32.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -470.907238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.907238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.907238 (E_RNA)
where:
Base-Base interactions energy: -293.535
where: short stacking energy: -153.168
Base-Backbone interact. energy: -0.541
local terms energy: -176.830923
where:
bonds (distance) C4'-P energy: -32.341
bonds (distance) P-C4' energy: -34.876
flat angles C4'-P-C4' energy: -35.895
flat angles P-C4'-P energy: -28.968
tors. eta vs tors. theta energy: -44.751
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: 5, replica: 10
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -434.514778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.514778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.514778 (E_RNA)
where:
Base-Base interactions energy: -280.781
where: short stacking energy: -139.549
Base-Backbone interact. energy: -0.765
local terms energy: -152.968535
where:
bonds (distance) C4'-P energy: -35.898
bonds (distance) P-C4' energy: -29.825
flat angles C4'-P-C4' energy: -32.247
flat angles P-C4'-P energy: -24.472
tors. eta vs tors. theta energy: -30.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -352.243479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.243479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.243479 (E_RNA)
where:
Base-Base interactions energy: -223.737
where: short stacking energy: -124.310
Base-Backbone interact. energy: 0.254
local terms energy: -128.760135
where:
bonds (distance) C4'-P energy: -30.899
bonds (distance) P-C4' energy: -26.481
flat angles C4'-P-C4' energy: -20.902
flat angles P-C4'-P energy: -22.377
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: 8
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -305.724423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.724423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.724423 (E_RNA)
where:
Base-Base interactions energy: -194.150
where: short stacking energy: -106.645
Base-Backbone interact. energy: -1.211
local terms energy: -110.363030
where:
bonds (distance) C4'-P energy: -26.306
bonds (distance) P-C4' energy: -21.659
flat angles C4'-P-C4' energy: -22.251
flat angles P-C4'-P energy: -24.865
tors. eta vs tors. theta energy: -15.281
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: 1
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -324.219297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.219297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.219297 (E_RNA)
where:
Base-Base interactions energy: -194.987
where: short stacking energy: -82.878
Base-Backbone interact. energy: -0.313
local terms energy: -128.918788
where:
bonds (distance) C4'-P energy: -30.571
bonds (distance) P-C4' energy: -39.177
flat angles C4'-P-C4' energy: -35.681
flat angles P-C4'-P energy: -9.856
tors. eta vs tors. theta energy: -13.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -231.345311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.345311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.345311 (E_RNA)
where:
Base-Base interactions energy: -124.897
where: short stacking energy: -80.330
Base-Backbone interact. energy: -0.446
local terms energy: -106.002770
where:
bonds (distance) C4'-P energy: -31.530
bonds (distance) P-C4' energy: -17.914
flat angles C4'-P-C4' energy: -27.219
flat angles P-C4'-P energy: -14.730
tors. eta vs tors. theta energy: -14.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -212.828882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.828882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.828882 (E_RNA)
where:
Base-Base interactions energy: -106.443
where: short stacking energy: -64.363
Base-Backbone interact. energy: 0.934
local terms energy: -107.320161
where:
bonds (distance) C4'-P energy: -27.115
bonds (distance) P-C4' energy: -32.122
flat angles C4'-P-C4' energy: -20.441
flat angles P-C4'-P energy: -21.060
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: 6
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -549.303210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.303210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.303210 (E_RNA)
where:
Base-Base interactions energy: -363.885
where: short stacking energy: -155.583
Base-Backbone interact. energy: -0.508
local terms energy: -184.910030
where:
bonds (distance) C4'-P energy: -33.716
bonds (distance) P-C4' energy: -38.803
flat angles C4'-P-C4' energy: -40.339
flat angles P-C4'-P energy: -27.647
tors. eta vs tors. theta energy: -44.405
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: 9
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -507.887775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.887775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.887775 (E_RNA)
where:
Base-Base interactions energy: -339.149
where: short stacking energy: -169.724
Base-Backbone interact. energy: -0.385
local terms energy: -168.354135
where:
bonds (distance) C4'-P energy: -31.927
bonds (distance) P-C4' energy: -30.571
flat angles C4'-P-C4' energy: -38.745
flat angles P-C4'-P energy: -23.949
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: 3, replica: 5
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -491.658993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.658993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.658993 (E_RNA)
where:
Base-Base interactions energy: -323.658
where: short stacking energy: -161.427
Base-Backbone interact. energy: -0.571
local terms energy: -167.429742
where:
bonds (distance) C4'-P energy: -28.324
bonds (distance) P-C4' energy: -32.651
flat angles C4'-P-C4' energy: -38.273
flat angles P-C4'-P energy: -24.422
tors. eta vs tors. theta energy: -43.760
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: 110
Temperature: 1.050000
Total energy: -491.767328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.767328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.767328 (E_RNA)
where:
Base-Base interactions energy: -344.948
where: short stacking energy: -150.728
Base-Backbone interact. energy: -0.836
local terms energy: -145.982643
where:
bonds (distance) C4'-P energy: -33.398
bonds (distance) P-C4' energy: -27.357
flat angles C4'-P-C4' energy: -34.960
flat angles P-C4'-P energy: -19.411
tors. eta vs tors. theta energy: -30.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -440.988593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.988593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.988593 (E_RNA)
where:
Base-Base interactions energy: -293.066
where: short stacking energy: -149.128
Base-Backbone interact. energy: 0.298
local terms energy: -148.220331
where:
bonds (distance) C4'-P energy: -28.341
bonds (distance) P-C4' energy: -27.274
flat angles C4'-P-C4' energy: -29.524
flat angles P-C4'-P energy: -23.228
tors. eta vs tors. theta energy: -39.853
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: 3
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -348.149165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.149165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.149165 (E_RNA)
where:
Base-Base interactions energy: -216.954
where: short stacking energy: -120.661
Base-Backbone interact. energy: 0.460
local terms energy: -131.655306
where:
bonds (distance) C4'-P energy: -26.576
bonds (distance) P-C4' energy: -27.836
flat angles C4'-P-C4' energy: -26.693
flat angles P-C4'-P energy: -23.572
tors. eta vs tors. theta energy: -26.979
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: 1
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -331.896899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.896899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.896899 (E_RNA)
where:
Base-Base interactions energy: -207.332
where: short stacking energy: -109.371
Base-Backbone interact. energy: 0.518
local terms energy: -125.082823
where:
bonds (distance) C4'-P energy: -28.132
bonds (distance) P-C4' energy: -30.554
flat angles C4'-P-C4' energy: -20.185
flat angles P-C4'-P energy: -18.563
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: 8, replica: 8
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -313.139741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.139741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.139741 (E_RNA)
where:
Base-Base interactions energy: -181.873
where: short stacking energy: -96.826
Base-Backbone interact. energy: -0.447
local terms energy: -130.819881
where:
bonds (distance) C4'-P energy: -23.653
bonds (distance) P-C4' energy: -31.522
flat angles C4'-P-C4' energy: -34.990
flat angles P-C4'-P energy: -22.389
tors. eta vs tors. theta energy: -18.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -228.160214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.160214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.160214 (E_RNA)
where:
Base-Base interactions energy: -119.545
where: short stacking energy: -71.912
Base-Backbone interact. energy: 2.533
local terms energy: -111.148044
where:
bonds (distance) C4'-P energy: -30.077
bonds (distance) P-C4' energy: -30.930
flat angles C4'-P-C4' energy: -17.660
flat angles P-C4'-P energy: -24.483
tors. eta vs tors. theta energy: -7.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -249.775897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.775897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.775897 (E_RNA)
where:
Base-Base interactions energy: -130.284
where: short stacking energy: -78.716
Base-Backbone interact. energy: -0.340
local terms energy: -119.151975
where:
bonds (distance) C4'-P energy: -29.228
bonds (distance) P-C4' energy: -31.997
flat angles C4'-P-C4' energy: -30.227
flat angles P-C4'-P energy: -19.551
tors. eta vs tors. theta energy: -8.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -552.203654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.203654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.203654 (E_RNA)
where:
Base-Base interactions energy: -378.796
where: short stacking energy: -168.050
Base-Backbone interact. energy: -0.569
local terms energy: -172.838549
where:
bonds (distance) C4'-P energy: -33.690
bonds (distance) P-C4' energy: -31.388
flat angles C4'-P-C4' energy: -37.208
flat angles P-C4'-P energy: -24.713
tors. eta vs tors. theta energy: -45.839
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: 5
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -533.288966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.288966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.288966 (E_RNA)
where:
Base-Base interactions energy: -347.061
where: short stacking energy: -176.143
Base-Backbone interact. energy: -1.189
local terms energy: -185.038989
where:
bonds (distance) C4'-P energy: -34.260
bonds (distance) P-C4' energy: -36.528
flat angles C4'-P-C4' energy: -35.528
flat angles P-C4'-P energy: -27.472
tors. eta vs tors. theta energy: -51.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -492.220291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.220291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.220291 (E_RNA)
where:
Base-Base interactions energy: -322.502
where: short stacking energy: -142.205
Base-Backbone interact. energy: -0.478
local terms energy: -169.240563
where:
bonds (distance) C4'-P energy: -36.081
bonds (distance) P-C4' energy: -28.530
flat angles C4'-P-C4' energy: -38.587
flat angles P-C4'-P energy: -30.373
tors. eta vs tors. theta energy: -35.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -501.964956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.964956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.964956 (E_RNA)
where:
Base-Base interactions energy: -349.313
where: short stacking energy: -162.442
Base-Backbone interact. energy: 0.717
local terms energy: -153.369377
where:
bonds (distance) C4'-P energy: -27.038
bonds (distance) P-C4' energy: -37.040
flat angles C4'-P-C4' energy: -32.537
flat angles P-C4'-P energy: -22.509
tors. eta vs tors. theta energy: -34.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -443.937487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.937487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.937487 (E_RNA)
where:
Base-Base interactions energy: -274.942
where: short stacking energy: -133.482
Base-Backbone interact. energy: -0.639
local terms energy: -168.356736
where:
bonds (distance) C4'-P energy: -29.870
bonds (distance) P-C4' energy: -38.970
flat angles C4'-P-C4' energy: -35.228
flat angles P-C4'-P energy: -20.899
tors. eta vs tors. theta energy: -43.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -323.270486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.270486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.270486 (E_RNA)
where:
Base-Base interactions energy: -193.361
where: short stacking energy: -98.356
Base-Backbone interact. energy: -1.046
local terms energy: -128.863758
where:
bonds (distance) C4'-P energy: -32.018
bonds (distance) P-C4' energy: -33.633
flat angles C4'-P-C4' energy: -28.762
flat angles P-C4'-P energy: -17.849
tors. eta vs tors. theta energy: -16.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -329.163096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.163096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.163096 (E_RNA)
where:
Base-Base interactions energy: -186.514
where: short stacking energy: -100.724
Base-Backbone interact. energy: -0.354
local terms energy: -142.294899
where:
bonds (distance) C4'-P energy: -39.347
bonds (distance) P-C4' energy: -33.455
flat angles C4'-P-C4' energy: -28.036
flat angles P-C4'-P energy: -20.737
tors. eta vs tors. theta energy: -20.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -325.120684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.120684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.120684 (E_RNA)
where:
Base-Base interactions energy: -197.971
where: short stacking energy: -84.837
Base-Backbone interact. energy: -0.867
local terms energy: -126.282299
where:
bonds (distance) C4'-P energy: -29.624
bonds (distance) P-C4' energy: -35.338
flat angles C4'-P-C4' energy: -25.513
flat angles P-C4'-P energy: -16.947
tors. eta vs tors. theta energy: -18.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -243.745631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.745631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.745631 (E_RNA)
where:
Base-Base interactions energy: -121.214
where: short stacking energy: -77.850
Base-Backbone interact. energy: 1.160
local terms energy: -123.691207
where:
bonds (distance) C4'-P energy: -33.479
bonds (distance) P-C4' energy: -20.522
flat angles C4'-P-C4' energy: -31.883
flat angles P-C4'-P energy: -18.156
tors. eta vs tors. theta energy: -19.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -234.258288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.258288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.258288 (E_RNA)
where:
Base-Base interactions energy: -121.662
where: short stacking energy: -64.423
Base-Backbone interact. energy: -0.684
local terms energy: -111.911724
where:
bonds (distance) C4'-P energy: -30.432
bonds (distance) P-C4' energy: -27.790
flat angles C4'-P-C4' energy: -26.882
flat angles P-C4'-P energy: -16.116
tors. eta vs tors. theta energy: -10.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -565.119247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.119247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.119247 (E_RNA)
where:
Base-Base interactions energy: -374.140
where: short stacking energy: -168.746
Base-Backbone interact. energy: 0.695
local terms energy: -191.674845
where:
bonds (distance) C4'-P energy: -34.411
bonds (distance) P-C4' energy: -40.784
flat angles C4'-P-C4' energy: -35.169
flat angles P-C4'-P energy: -35.012
tors. eta vs tors. theta energy: -46.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -536.943669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.943669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.943669 (E_RNA)
where:
Base-Base interactions energy: -350.114
where: short stacking energy: -180.868
Base-Backbone interact. energy: -0.642
local terms energy: -186.187657
where:
bonds (distance) C4'-P energy: -29.899
bonds (distance) P-C4' energy: -33.846
flat angles C4'-P-C4' energy: -42.009
flat angles P-C4'-P energy: -26.195
tors. eta vs tors. theta energy: -54.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -513.217262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.217262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.217262 (E_RNA)
where:
Base-Base interactions energy: -357.848
where: short stacking energy: -159.883
Base-Backbone interact. energy: 3.517
local terms energy: -158.886738
where:
bonds (distance) C4'-P energy: -30.997
bonds (distance) P-C4' energy: -27.997
flat angles C4'-P-C4' energy: -36.735
flat angles P-C4'-P energy: -26.481
tors. eta vs tors. theta energy: -36.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -503.332601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.332601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.332601 (E_RNA)
where:
Base-Base interactions energy: -331.508
where: short stacking energy: -151.552
Base-Backbone interact. energy: -0.212
local terms energy: -171.611776
where:
bonds (distance) C4'-P energy: -28.851
bonds (distance) P-C4' energy: -35.198
flat angles C4'-P-C4' energy: -40.831
flat angles P-C4'-P energy: -30.797
tors. eta vs tors. theta energy: -35.934
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: 10
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -426.689284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.689284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.689284 (E_RNA)
where:
Base-Base interactions energy: -277.581
where: short stacking energy: -133.175
Base-Backbone interact. energy: -0.581
local terms energy: -148.527098
where:
bonds (distance) C4'-P energy: -21.134
bonds (distance) P-C4' energy: -33.454
flat angles C4'-P-C4' energy: -40.490
flat angles P-C4'-P energy: -22.448
tors. eta vs tors. theta energy: -31.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -339.920478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.920478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.920478 (E_RNA)
where:
Base-Base interactions energy: -201.748
where: short stacking energy: -101.998
Base-Backbone interact. energy: -0.305
local terms energy: -137.867529
where:
bonds (distance) C4'-P energy: -33.094
bonds (distance) P-C4' energy: -32.011
flat angles C4'-P-C4' energy: -34.832
flat angles P-C4'-P energy: -25.449
tors. eta vs tors. theta energy: -12.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -340.857236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.857236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.857236 (E_RNA)
where:
Base-Base interactions energy: -216.482
where: short stacking energy: -107.877
Base-Backbone interact. energy: 2.017
local terms energy: -126.391900
where:
bonds (distance) C4'-P energy: -30.737
bonds (distance) P-C4' energy: -33.971
flat angles C4'-P-C4' energy: -25.832
flat angles P-C4'-P energy: -14.431
tors. eta vs tors. theta energy: -21.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -324.609836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.609836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.609836 (E_RNA)
where:
Base-Base interactions energy: -200.060
where: short stacking energy: -95.082
Base-Backbone interact. energy: -0.135
local terms energy: -124.414640
where:
bonds (distance) C4'-P energy: -23.466
bonds (distance) P-C4' energy: -33.076
flat angles C4'-P-C4' energy: -30.855
flat angles P-C4'-P energy: -21.355
tors. eta vs tors. theta energy: -15.663
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: 7
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -236.755099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.755099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.755099 (E_RNA)
where:
Base-Base interactions energy: -120.453
where: short stacking energy: -71.115
Base-Backbone interact. energy: 1.733
local terms energy: -118.034969
where:
bonds (distance) C4'-P energy: -26.323
bonds (distance) P-C4' energy: -27.026
flat angles C4'-P-C4' energy: -32.268
flat angles P-C4'-P energy: -20.603
tors. eta vs tors. theta energy: -11.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -231.237769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.237769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.237769 (E_RNA)
where:
Base-Base interactions energy: -134.600
where: short stacking energy: -81.724
Base-Backbone interact. energy: -0.585
local terms energy: -96.053368
where:
bonds (distance) C4'-P energy: -27.892
bonds (distance) P-C4' energy: -23.281
flat angles C4'-P-C4' energy: -22.323
flat angles P-C4'-P energy: -12.918
tors. eta vs tors. theta energy: -9.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -553.235281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.235281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.235281 (E_RNA)
where:
Base-Base interactions energy: -382.952
where: short stacking energy: -162.678
Base-Backbone interact. energy: 0.037
local terms energy: -170.320411
where:
bonds (distance) C4'-P energy: -31.283
bonds (distance) P-C4' energy: -35.907
flat angles C4'-P-C4' energy: -38.113
flat angles P-C4'-P energy: -22.455
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: 2, replica: 5
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -540.076896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.076896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.076896 (E_RNA)
where:
Base-Base interactions energy: -355.305
where: short stacking energy: -166.698
Base-Backbone interact. energy: -0.078
local terms energy: -184.694567
where:
bonds (distance) C4'-P energy: -32.093
bonds (distance) P-C4' energy: -38.639
flat angles C4'-P-C4' energy: -39.203
flat angles P-C4'-P energy: -24.653
tors. eta vs tors. theta energy: -50.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -507.442275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.442275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.442275 (E_RNA)
where:
Base-Base interactions energy: -358.180
where: short stacking energy: -161.119
Base-Backbone interact. energy: 0.064
local terms energy: -149.325967
where:
bonds (distance) C4'-P energy: -24.760
bonds (distance) P-C4' energy: -29.485
flat angles C4'-P-C4' energy: -32.678
flat angles P-C4'-P energy: -27.146
tors. eta vs tors. theta energy: -35.257
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: 10
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -448.141139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.141139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.141139 (E_RNA)
where:
Base-Base interactions energy: -282.027
where: short stacking energy: -144.599
Base-Backbone interact. energy: -0.606
local terms energy: -165.507832
where:
bonds (distance) C4'-P energy: -34.123
bonds (distance) P-C4' energy: -31.929
flat angles C4'-P-C4' energy: -39.684
flat angles P-C4'-P energy: -24.255
tors. eta vs tors. theta energy: -35.517
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: 113
Temperature: 1.100000
Total energy: -482.289981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.289981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.289981 (E_RNA)
where:
Base-Base interactions energy: -325.650
where: short stacking energy: -159.011
Base-Backbone interact. energy: 0.098
local terms energy: -156.738012
where:
bonds (distance) C4'-P energy: -31.456
bonds (distance) P-C4' energy: -34.498
flat angles C4'-P-C4' energy: -32.451
flat angles P-C4'-P energy: -15.025
tors. eta vs tors. theta energy: -43.308
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: 3
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -361.871369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.871369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.871369 (E_RNA)
where:
Base-Base interactions energy: -222.018
where: short stacking energy: -105.131
Base-Backbone interact. energy: -0.563
local terms energy: -139.290819
where:
bonds (distance) C4'-P energy: -30.813
bonds (distance) P-C4' energy: -33.949
flat angles C4'-P-C4' energy: -32.852
flat angles P-C4'-P energy: -14.586
tors. eta vs tors. theta energy: -27.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -353.191598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.191598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.191598 (E_RNA)
where:
Base-Base interactions energy: -212.723
where: short stacking energy: -107.504
Base-Backbone interact. energy: -0.399
local terms energy: -140.069136
where:
bonds (distance) C4'-P energy: -29.361
bonds (distance) P-C4' energy: -34.760
flat angles C4'-P-C4' energy: -29.528
flat angles P-C4'-P energy: -24.542
tors. eta vs tors. theta energy: -21.879
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: 8, replica: 8
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -300.262963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.262963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.262963 (E_RNA)
where:
Base-Base interactions energy: -182.953
where: short stacking energy: -91.844
Base-Backbone interact. energy: -0.541
local terms energy: -116.768097
where:
bonds (distance) C4'-P energy: -26.447
bonds (distance) P-C4' energy: -38.246
flat angles C4'-P-C4' energy: -17.555
flat angles P-C4'-P energy: -16.197
tors. eta vs tors. theta energy: -18.323
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: 9, replica: 7
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -226.610646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.610646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.610646 (E_RNA)
where:
Base-Base interactions energy: -128.435
where: short stacking energy: -75.022
Base-Backbone interact. energy: -0.405
local terms energy: -97.771367
where:
bonds (distance) C4'-P energy: -32.589
bonds (distance) P-C4' energy: -24.932
flat angles C4'-P-C4' energy: -24.034
flat angles P-C4'-P energy: -16.923
tors. eta vs tors. theta energy: 0.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -174.038156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.038156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.038156 (E_RNA)
where:
Base-Base interactions energy: -73.029
where: short stacking energy: -50.303
Base-Backbone interact. energy: 2.333
local terms energy: -103.342310
where:
bonds (distance) C4'-P energy: -24.721
bonds (distance) P-C4' energy: -33.500
flat angles C4'-P-C4' energy: -21.828
flat angles P-C4'-P energy: -14.742
tors. eta vs tors. theta energy: -8.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -555.175698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.175698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.175698 (E_RNA)
where:
Base-Base interactions energy: -372.446
where: short stacking energy: -161.595
Base-Backbone interact. energy: 0.048
local terms energy: -182.777535
where:
bonds (distance) C4'-P energy: -36.774
bonds (distance) P-C4' energy: -40.703
flat angles C4'-P-C4' energy: -33.440
flat angles P-C4'-P energy: -27.505
tors. eta vs tors. theta energy: -44.356
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: 5
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -538.010539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.010539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.010539 (E_RNA)
where:
Base-Base interactions energy: -352.900
where: short stacking energy: -184.245
Base-Backbone interact. energy: 0.148
local terms energy: -185.258349
where:
bonds (distance) C4'-P energy: -34.919
bonds (distance) P-C4' energy: -33.952
flat angles C4'-P-C4' energy: -36.568
flat angles P-C4'-P energy: -28.118
tors. eta vs tors. theta energy: -51.702
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: 4
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -510.425659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.425659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.425659 (E_RNA)
where:
Base-Base interactions energy: -348.212
where: short stacking energy: -162.406
Base-Backbone interact. energy: -0.492
local terms energy: -161.721539
where:
bonds (distance) C4'-P energy: -37.892
bonds (distance) P-C4' energy: -28.641
flat angles C4'-P-C4' energy: -33.792
flat angles P-C4'-P energy: -22.491
tors. eta vs tors. theta energy: -38.904
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: 10
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -431.685590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.685590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.685590 (E_RNA)
where:
Base-Base interactions energy: -275.895
where: short stacking energy: -134.774
Base-Backbone interact. energy: -0.196
local terms energy: -155.594409
where:
bonds (distance) C4'-P energy: -31.835
bonds (distance) P-C4' energy: -34.084
flat angles C4'-P-C4' energy: -32.914
flat angles P-C4'-P energy: -17.635
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: 5, replica: 9
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -472.255246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.255246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.255246 (E_RNA)
where:
Base-Base interactions energy: -315.589
where: short stacking energy: -141.068
Base-Backbone interact. energy: -0.230
local terms energy: -156.436406
where:
bonds (distance) C4'-P energy: -32.607
bonds (distance) P-C4' energy: -30.326
flat angles C4'-P-C4' energy: -34.535
flat angles P-C4'-P energy: -25.069
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: 6, replica: 3
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -352.927503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.927503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.927503 (E_RNA)
where:
Base-Base interactions energy: -215.684
where: short stacking energy: -95.724
Base-Backbone interact. energy: 0.140
local terms energy: -137.383127
where:
bonds (distance) C4'-P energy: -26.790
bonds (distance) P-C4' energy: -38.252
flat angles C4'-P-C4' energy: -30.506
flat angles P-C4'-P energy: -20.743
tors. eta vs tors. theta energy: -21.092
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: 8
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -344.058401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.058401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.058401 (E_RNA)
where:
Base-Base interactions energy: -208.140
where: short stacking energy: -125.578
Base-Backbone interact. energy: -0.916
local terms energy: -135.001817
where:
bonds (distance) C4'-P energy: -24.232
bonds (distance) P-C4' energy: -37.110
flat angles C4'-P-C4' energy: -30.508
flat angles P-C4'-P energy: -13.583
tors. eta vs tors. theta energy: -29.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -329.537977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.537977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.537977 (E_RNA)
where:
Base-Base interactions energy: -188.249
where: short stacking energy: -94.137
Base-Backbone interact. energy: -0.960
local terms energy: -140.329338
where:
bonds (distance) C4'-P energy: -34.460
bonds (distance) P-C4' energy: -34.435
flat angles C4'-P-C4' energy: -25.749
flat angles P-C4'-P energy: -28.577
tors. eta vs tors. theta energy: -17.109
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: 2
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -220.633105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.633105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.633105 (E_RNA)
where:
Base-Base interactions energy: -102.802
where: short stacking energy: -62.897
Base-Backbone interact. energy: 2.242
local terms energy: -120.072731
where:
bonds (distance) C4'-P energy: -35.028
bonds (distance) P-C4' energy: -30.078
flat angles C4'-P-C4' energy: -32.134
flat angles P-C4'-P energy: -14.906
tors. eta vs tors. theta energy: -7.927
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: 114
Temperature: 1.350000
Total energy: -233.795692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.795692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.795692 (E_RNA)
where:
Base-Base interactions energy: -122.806
where: short stacking energy: -67.768
Base-Backbone interact. energy: -0.608
local terms energy: -110.381025
where:
bonds (distance) C4'-P energy: -28.751
bonds (distance) P-C4' energy: -36.461
flat angles C4'-P-C4' energy: -26.827
flat angles P-C4'-P energy: -12.061
tors. eta vs tors. theta energy: -6.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -554.893554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.893554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.893554 (E_RNA)
where:
Base-Base interactions energy: -365.016
where: short stacking energy: -162.711
Base-Backbone interact. energy: -0.949
local terms energy: -188.927602
where:
bonds (distance) C4'-P energy: -38.982
bonds (distance) P-C4' energy: -37.304
flat angles C4'-P-C4' energy: -42.211
flat angles P-C4'-P energy: -25.845
tors. eta vs tors. theta energy: -44.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -544.564655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.564655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.564655 (E_RNA)
where:
Base-Base interactions energy: -351.453
where: short stacking energy: -183.583
Base-Backbone interact. energy: -0.008
local terms energy: -193.103359
where:
bonds (distance) C4'-P energy: -31.456
bonds (distance) P-C4' energy: -37.159
flat angles C4'-P-C4' energy: -39.655
flat angles P-C4'-P energy: -33.748
tors. eta vs tors. theta energy: -51.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -487.988589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.988589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.988589 (E_RNA)
where:
Base-Base interactions energy: -322.308
where: short stacking energy: -142.111
Base-Backbone interact. energy: -0.103
local terms energy: -165.577942
where:
bonds (distance) C4'-P energy: -38.033
bonds (distance) P-C4' energy: -34.809
flat angles C4'-P-C4' energy: -36.956
flat angles P-C4'-P energy: -25.062
tors. eta vs tors. theta energy: -30.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -479.832556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.832556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.832556 (E_RNA)
where:
Base-Base interactions energy: -326.887
where: short stacking energy: -150.038
Base-Backbone interact. energy: -0.587
local terms energy: -152.358418
where:
bonds (distance) C4'-P energy: -27.427
bonds (distance) P-C4' energy: -39.262
flat angles C4'-P-C4' energy: -30.420
flat angles P-C4'-P energy: -18.342
tors. eta vs tors. theta energy: -36.908
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: 10
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -427.564382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.564382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.564382 (E_RNA)
where:
Base-Base interactions energy: -271.737
where: short stacking energy: -146.410
Base-Backbone interact. energy: -0.638
local terms energy: -155.189921
where:
bonds (distance) C4'-P energy: -32.346
bonds (distance) P-C4' energy: -31.654
flat angles C4'-P-C4' energy: -29.404
flat angles P-C4'-P energy: -24.934
tors. eta vs tors. theta energy: -36.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -332.212909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.212909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.212909 (E_RNA)
where:
Base-Base interactions energy: -198.966
where: short stacking energy: -94.044
Base-Backbone interact. energy: -2.349
local terms energy: -130.897627
where:
bonds (distance) C4'-P energy: -31.053
bonds (distance) P-C4' energy: -32.684
flat angles C4'-P-C4' energy: -19.594
flat angles P-C4'-P energy: -22.328
tors. eta vs tors. theta energy: -25.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -328.799237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.799237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.799237 (E_RNA)
where:
Base-Base interactions energy: -201.835
where: short stacking energy: -97.707
Base-Backbone interact. energy: -1.004
local terms energy: -125.960249
where:
bonds (distance) C4'-P energy: -28.761
bonds (distance) P-C4' energy: -32.180
flat angles C4'-P-C4' energy: -23.254
flat angles P-C4'-P energy: -19.193
tors. eta vs tors. theta energy: -22.573
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: 1
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -312.382698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.382698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.382698 (E_RNA)
where:
Base-Base interactions energy: -200.257
where: short stacking energy: -81.328
Base-Backbone interact. energy: -0.487
local terms energy: -111.638816
where:
bonds (distance) C4'-P energy: -28.250
bonds (distance) P-C4' energy: -26.021
flat angles C4'-P-C4' energy: -24.465
flat angles P-C4'-P energy: -20.569
tors. eta vs tors. theta energy: -12.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -219.382962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.382962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.382962 (E_RNA)
where:
Base-Base interactions energy: -118.692
where: short stacking energy: -63.180
Base-Backbone interact. energy: -0.672
local terms energy: -100.019348
where:
bonds (distance) C4'-P energy: -24.597
bonds (distance) P-C4' energy: -37.588
flat angles C4'-P-C4' energy: -24.471
flat angles P-C4'-P energy: -13.685
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: 10, replica: 7
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -232.843649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.843649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.843649 (E_RNA)
where:
Base-Base interactions energy: -129.683
where: short stacking energy: -78.000
Base-Backbone interact. energy: 1.282
local terms energy: -104.443174
where:
bonds (distance) C4'-P energy: -23.887
bonds (distance) P-C4' energy: -26.249
flat angles C4'-P-C4' energy: -22.142
flat angles P-C4'-P energy: -17.124
tors. eta vs tors. theta energy: -15.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -570.164731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.164731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.164731 (E_RNA)
where:
Base-Base interactions energy: -382.101
where: short stacking energy: -200.242
Base-Backbone interact. energy: -0.412
local terms energy: -187.651609
where:
bonds (distance) C4'-P energy: -33.734
bonds (distance) P-C4' energy: -29.466
flat angles C4'-P-C4' energy: -40.082
flat angles P-C4'-P energy: -31.212
tors. eta vs tors. theta energy: -53.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -541.431294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.431294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.431294 (E_RNA)
where:
Base-Base interactions energy: -372.441
where: short stacking energy: -162.873
Base-Backbone interact. energy: 0.291
local terms energy: -169.281542
where:
bonds (distance) C4'-P energy: -37.326
bonds (distance) P-C4' energy: -37.400
flat angles C4'-P-C4' energy: -36.957
flat angles P-C4'-P energy: -19.167
tors. eta vs tors. theta energy: -38.432
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: 9
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -506.067215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.067215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.067215 (E_RNA)
where:
Base-Base interactions energy: -355.326
where: short stacking energy: -157.686
Base-Backbone interact. energy: -1.063
local terms energy: -149.677843
where:
bonds (distance) C4'-P energy: -30.111
bonds (distance) P-C4' energy: -25.817
flat angles C4'-P-C4' energy: -36.296
flat angles P-C4'-P energy: -17.434
tors. eta vs tors. theta energy: -40.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -466.311395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.311395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.311395 (E_RNA)
where:
Base-Base interactions energy: -321.939
where: short stacking energy: -151.678
Base-Backbone interact. energy: -0.549
local terms energy: -143.823662
where:
bonds (distance) C4'-P energy: -22.176
bonds (distance) P-C4' energy: -26.593
flat angles C4'-P-C4' energy: -35.518
flat angles P-C4'-P energy: -23.634
tors. eta vs tors. theta energy: -35.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -429.364352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.364352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.364352 (E_RNA)
where:
Base-Base interactions energy: -269.741
where: short stacking energy: -134.638
Base-Backbone interact. energy: -0.114
local terms energy: -159.509401
where:
bonds (distance) C4'-P energy: -28.093
bonds (distance) P-C4' energy: -31.842
flat angles C4'-P-C4' energy: -34.463
flat angles P-C4'-P energy: -28.686
tors. eta vs tors. theta energy: -36.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -332.376145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.376145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.376145 (E_RNA)
where:
Base-Base interactions energy: -203.268
where: short stacking energy: -103.534
Base-Backbone interact. energy: 0.359
local terms energy: -129.467481
where:
bonds (distance) C4'-P energy: -30.112
bonds (distance) P-C4' energy: -30.843
flat angles C4'-P-C4' energy: -30.765
flat angles P-C4'-P energy: -18.861
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: 7, replica: 1
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -336.784852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.784852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.784852 (E_RNA)
where:
Base-Base interactions energy: -207.945
where: short stacking energy: -106.057
Base-Backbone interact. energy: -0.777
local terms energy: -128.062887
where:
bonds (distance) C4'-P energy: -28.435
bonds (distance) P-C4' energy: -25.784
flat angles C4'-P-C4' energy: -30.987
flat angles P-C4'-P energy: -20.469
tors. eta vs tors. theta energy: -22.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -331.491568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.491568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.491568 (E_RNA)
where:
Base-Base interactions energy: -213.738
where: short stacking energy: -106.103
Base-Backbone interact. energy: -1.008
local terms energy: -116.745168
where:
bonds (distance) C4'-P energy: -30.951
bonds (distance) P-C4' energy: -26.338
flat angles C4'-P-C4' energy: -18.885
flat angles P-C4'-P energy: -19.682
tors. eta vs tors. theta energy: -20.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -233.910342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.910342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.910342 (E_RNA)
where:
Base-Base interactions energy: -111.940
where: short stacking energy: -65.749
Base-Backbone interact. energy: -0.134
local terms energy: -121.836508
where:
bonds (distance) C4'-P energy: -26.585
bonds (distance) P-C4' energy: -35.714
flat angles C4'-P-C4' energy: -31.247
flat angles P-C4'-P energy: -18.605
tors. eta vs tors. theta energy: -9.686
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: 2
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -227.250369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.250369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.250369 (E_RNA)
where:
Base-Base interactions energy: -113.946
where: short stacking energy: -66.353
Base-Backbone interact. energy: -1.348
local terms energy: -111.955876
where:
bonds (distance) C4'-P energy: -37.109
bonds (distance) P-C4' energy: -30.851
flat angles C4'-P-C4' energy: -20.304
flat angles P-C4'-P energy: -17.720
tors. eta vs tors. theta energy: -5.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -555.462501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.462501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.462501 (E_RNA)
where:
Base-Base interactions energy: -363.615
where: short stacking energy: -199.608
Base-Backbone interact. energy: -0.100
local terms energy: -191.747250
where:
bonds (distance) C4'-P energy: -27.904
bonds (distance) P-C4' energy: -32.569
flat angles C4'-P-C4' energy: -39.012
flat angles P-C4'-P energy: -31.630
tors. eta vs tors. theta energy: -60.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -540.074047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.074047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.074047 (E_RNA)
where:
Base-Base interactions energy: -361.438
where: short stacking energy: -163.977
Base-Backbone interact. energy: -0.990
local terms energy: -177.645813
where:
bonds (distance) C4'-P energy: -33.079
bonds (distance) P-C4' energy: -37.670
flat angles C4'-P-C4' energy: -36.390
flat angles P-C4'-P energy: -28.632
tors. eta vs tors. theta energy: -41.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -489.245193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.245193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.245193 (E_RNA)
where:
Base-Base interactions energy: -334.357
where: short stacking energy: -142.657
Base-Backbone interact. energy: -0.730
local terms energy: -154.158139
where:
bonds (distance) C4'-P energy: -29.985
bonds (distance) P-C4' energy: -29.947
flat angles C4'-P-C4' energy: -35.348
flat angles P-C4'-P energy: -22.432
tors. eta vs tors. theta energy: -36.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -467.535969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.535969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.535969 (E_RNA)
where:
Base-Base interactions energy: -318.046
where: short stacking energy: -132.979
Base-Backbone interact. energy: -0.498
local terms energy: -148.991659
where:
bonds (distance) C4'-P energy: -31.848
bonds (distance) P-C4' energy: -39.139
flat angles C4'-P-C4' energy: -33.853
flat angles P-C4'-P energy: -16.162
tors. eta vs tors. theta energy: -27.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -446.148283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.148283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.148283 (E_RNA)
where:
Base-Base interactions energy: -292.457
where: short stacking energy: -151.324
Base-Backbone interact. energy: -0.517
local terms energy: -153.174200
where:
bonds (distance) C4'-P energy: -18.931
bonds (distance) P-C4' energy: -32.865
flat angles C4'-P-C4' energy: -36.144
flat angles P-C4'-P energy: -20.302
tors. eta vs tors. theta energy: -44.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -358.248704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.248704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.248704 (E_RNA)
where:
Base-Base interactions energy: -212.792
where: short stacking energy: -105.286
Base-Backbone interact. energy: 1.265
local terms energy: -146.721457
where:
bonds (distance) C4'-P energy: -27.211
bonds (distance) P-C4' energy: -35.415
flat angles C4'-P-C4' energy: -32.328
flat angles P-C4'-P energy: -25.999
tors. eta vs tors. theta energy: -25.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -337.852985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.852985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.852985 (E_RNA)
where:
Base-Base interactions energy: -198.914
where: short stacking energy: -108.138
Base-Backbone interact. energy: -0.230
local terms energy: -138.708654
where:
bonds (distance) C4'-P energy: -32.216
bonds (distance) P-C4' energy: -29.417
flat angles C4'-P-C4' energy: -33.988
flat angles P-C4'-P energy: -16.823
tors. eta vs tors. theta energy: -26.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -328.078402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.078402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.078402 (E_RNA)
where:
Base-Base interactions energy: -199.190
where: short stacking energy: -85.334
Base-Backbone interact. energy: -0.766
local terms energy: -128.122760
where:
bonds (distance) C4'-P energy: -36.601
bonds (distance) P-C4' energy: -41.045
flat angles C4'-P-C4' energy: -26.843
flat angles P-C4'-P energy: -6.038
tors. eta vs tors. theta energy: -17.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -246.824067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.824067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.824067 (E_RNA)
where:
Base-Base interactions energy: -129.459
where: short stacking energy: -81.581
Base-Backbone interact. energy: 0.062
local terms energy: -117.427543
where:
bonds (distance) C4'-P energy: -23.019
bonds (distance) P-C4' energy: -29.855
flat angles C4'-P-C4' energy: -25.824
flat angles P-C4'-P energy: -23.115
tors. eta vs tors. theta energy: -15.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -223.186665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.186665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.186665 (E_RNA)
where:
Base-Base interactions energy: -120.200
where: short stacking energy: -84.265
Base-Backbone interact. energy: 1.560
local terms energy: -104.546823
where:
bonds (distance) C4'-P energy: -32.205
bonds (distance) P-C4' energy: -28.464
flat angles C4'-P-C4' energy: -22.731
flat angles P-C4'-P energy: -13.105
tors. eta vs tors. theta energy: -8.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -547.759574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.759574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.759574 (E_RNA)
where:
Base-Base interactions energy: -365.310
where: short stacking energy: -190.403
Base-Backbone interact. energy: -0.004
local terms energy: -182.445192
where:
bonds (distance) C4'-P energy: -29.173
bonds (distance) P-C4' energy: -34.067
flat angles C4'-P-C4' energy: -36.109
flat angles P-C4'-P energy: -27.448
tors. eta vs tors. theta energy: -55.649
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: 6
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -537.618919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.618919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.618919 (E_RNA)
where:
Base-Base interactions energy: -367.373
where: short stacking energy: -167.884
Base-Backbone interact. energy: 3.485
local terms energy: -173.731327
where:
bonds (distance) C4'-P energy: -39.581
bonds (distance) P-C4' energy: -31.001
flat angles C4'-P-C4' energy: -38.790
flat angles P-C4'-P energy: -22.448
tors. eta vs tors. theta energy: -41.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -480.625590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.625590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.625590 (E_RNA)
where:
Base-Base interactions energy: -332.007
where: short stacking energy: -156.147
Base-Backbone interact. energy: -1.378
local terms energy: -147.240869
where:
bonds (distance) C4'-P energy: -28.158
bonds (distance) P-C4' energy: -39.896
flat angles C4'-P-C4' energy: -27.054
flat angles P-C4'-P energy: -21.126
tors. eta vs tors. theta energy: -31.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -495.825429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.825429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.825429 (E_RNA)
where:
Base-Base interactions energy: -346.493
where: short stacking energy: -141.508
Base-Backbone interact. energy: -0.102
local terms energy: -149.229867
where:
bonds (distance) C4'-P energy: -24.316
bonds (distance) P-C4' energy: -35.693
flat angles C4'-P-C4' energy: -29.689
flat angles P-C4'-P energy: -26.851
tors. eta vs tors. theta energy: -32.681
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: 10
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -418.806093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.806093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.806093 (E_RNA)
where:
Base-Base interactions energy: -265.800
where: short stacking energy: -135.801
Base-Backbone interact. energy: -0.388
local terms energy: -152.618414
where:
bonds (distance) C4'-P energy: -26.409
bonds (distance) P-C4' energy: -35.828
flat angles C4'-P-C4' energy: -33.579
flat angles P-C4'-P energy: -19.543
tors. eta vs tors. theta energy: -37.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -345.492291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.492291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.492291 (E_RNA)
where:
Base-Base interactions energy: -225.110
where: short stacking energy: -106.668
Base-Backbone interact. energy: 0.284
local terms energy: -120.666212
where:
bonds (distance) C4'-P energy: -25.112
bonds (distance) P-C4' energy: -16.913
flat angles C4'-P-C4' energy: -31.937
flat angles P-C4'-P energy: -23.398
tors. eta vs tors. theta energy: -23.306
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: 3
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -345.532092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.532092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.532092 (E_RNA)
where:
Base-Base interactions energy: -222.320
where: short stacking energy: -99.185
Base-Backbone interact. energy: 0.912
local terms energy: -124.124060
where:
bonds (distance) C4'-P energy: -28.110
bonds (distance) P-C4' energy: -29.982
flat angles C4'-P-C4' energy: -33.614
flat angles P-C4'-P energy: -13.470
tors. eta vs tors. theta energy: -18.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -326.076787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.076787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.076787 (E_RNA)
where:
Base-Base interactions energy: -198.683
where: short stacking energy: -89.251
Base-Backbone interact. energy: -0.592
local terms energy: -126.801784
where:
bonds (distance) C4'-P energy: -22.982
bonds (distance) P-C4' energy: -24.605
flat angles C4'-P-C4' energy: -35.753
flat angles P-C4'-P energy: -22.990
tors. eta vs tors. theta energy: -20.471
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: 2
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -287.773809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.773809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.773809 (E_RNA)
where:
Base-Base interactions energy: -161.542
where: short stacking energy: -85.184
Base-Backbone interact. energy: 1.349
local terms energy: -127.580641
where:
bonds (distance) C4'-P energy: -32.792
bonds (distance) P-C4' energy: -27.262
flat angles C4'-P-C4' energy: -27.535
flat angles P-C4'-P energy: -21.660
tors. eta vs tors. theta energy: -18.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -217.499615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.499615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.499615 (E_RNA)
where:
Base-Base interactions energy: -108.889
where: short stacking energy: -77.952
Base-Backbone interact. energy: -0.420
local terms energy: -108.191112
where:
bonds (distance) C4'-P energy: -32.529
bonds (distance) P-C4' energy: -24.846
flat angles C4'-P-C4' energy: -21.952
flat angles P-C4'-P energy: -17.049
tors. eta vs tors. theta energy: -11.815
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: 5
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -554.294670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.294670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.294670 (E_RNA)
where:
Base-Base interactions energy: -361.089
where: short stacking energy: -190.884
Base-Backbone interact. energy: -0.094
local terms energy: -193.111442
where:
bonds (distance) C4'-P energy: -31.816
bonds (distance) P-C4' energy: -38.808
flat angles C4'-P-C4' energy: -37.197
flat angles P-C4'-P energy: -31.786
tors. eta vs tors. theta energy: -53.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -543.733651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.733651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.733651 (E_RNA)
where:
Base-Base interactions energy: -373.287
where: short stacking energy: -159.379
Base-Backbone interact. energy: -0.473
local terms energy: -169.973011
where:
bonds (distance) C4'-P energy: -35.517
bonds (distance) P-C4' energy: -35.197
flat angles C4'-P-C4' energy: -35.879
flat angles P-C4'-P energy: -25.238
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: 3, replica: 4
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -483.553315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.553315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.553315 (E_RNA)
where:
Base-Base interactions energy: -338.643
where: short stacking energy: -135.251
Base-Backbone interact. energy: 8.577
local terms energy: -153.487465
where:
bonds (distance) C4'-P energy: -32.174
bonds (distance) P-C4' energy: -35.991
flat angles C4'-P-C4' energy: -28.289
flat angles P-C4'-P energy: -28.385
tors. eta vs tors. theta energy: -28.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -505.868972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.868972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.868972 (E_RNA)
where:
Base-Base interactions energy: -338.550
where: short stacking energy: -151.600
Base-Backbone interact. energy: 0.451
local terms energy: -167.770308
where:
bonds (distance) C4'-P energy: -33.988
bonds (distance) P-C4' energy: -30.668
flat angles C4'-P-C4' energy: -37.294
flat angles P-C4'-P energy: -27.700
tors. eta vs tors. theta energy: -38.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -417.478980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.478980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.478980 (E_RNA)
where:
Base-Base interactions energy: -270.392
where: short stacking energy: -137.993
Base-Backbone interact. energy: -0.433
local terms energy: -146.653647
where:
bonds (distance) C4'-P energy: -36.399
bonds (distance) P-C4' energy: -27.437
flat angles C4'-P-C4' energy: -34.019
flat angles P-C4'-P energy: -18.734
tors. eta vs tors. theta energy: -30.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -348.505905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.505905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.505905 (E_RNA)
where:
Base-Base interactions energy: -216.031
where: short stacking energy: -121.989
Base-Backbone interact. energy: 2.131
local terms energy: -134.605830
where:
bonds (distance) C4'-P energy: -24.141
bonds (distance) P-C4' energy: -35.340
flat angles C4'-P-C4' energy: -28.811
flat angles P-C4'-P energy: -17.539
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: 7, replica: 8
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -324.431474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.431474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.431474 (E_RNA)
where:
Base-Base interactions energy: -211.786
where: short stacking energy: -108.059
Base-Backbone interact. energy: 0.004
local terms energy: -112.649545
where:
bonds (distance) C4'-P energy: -22.090
bonds (distance) P-C4' energy: -28.071
flat angles C4'-P-C4' energy: -32.130
flat angles P-C4'-P energy: -17.679
tors. eta vs tors. theta energy: -12.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -328.394838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.394838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.394838 (E_RNA)
where:
Base-Base interactions energy: -206.700
where: short stacking energy: -101.700
Base-Backbone interact. energy: 2.004
local terms energy: -123.699538
where:
bonds (distance) C4'-P energy: -24.261
bonds (distance) P-C4' energy: -27.282
flat angles C4'-P-C4' energy: -36.410
flat angles P-C4'-P energy: -16.044
tors. eta vs tors. theta energy: -19.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -305.456873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.456873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.456873 (E_RNA)
where:
Base-Base interactions energy: -180.479
where: short stacking energy: -93.335
Base-Backbone interact. energy: -1.074
local terms energy: -123.903837
where:
bonds (distance) C4'-P energy: -29.373
bonds (distance) P-C4' energy: -34.925
flat angles C4'-P-C4' energy: -25.996
flat angles P-C4'-P energy: -21.584
tors. eta vs tors. theta energy: -12.026
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: 7
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -215.938761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.938761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.938761 (E_RNA)
where:
Base-Base interactions energy: -110.881
where: short stacking energy: -67.793
Base-Backbone interact. energy: -0.782
local terms energy: -104.275696
where:
bonds (distance) C4'-P energy: -27.892
bonds (distance) P-C4' energy: -31.212
flat angles C4'-P-C4' energy: -19.720
flat angles P-C4'-P energy: -17.902
tors. eta vs tors. theta energy: -7.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -553.964916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.964916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.964916 (E_RNA)
where:
Base-Base interactions energy: -365.171
where: short stacking energy: -189.192
Base-Backbone interact. energy: 1.047
local terms energy: -189.840003
where:
bonds (distance) C4'-P energy: -39.562
bonds (distance) P-C4' energy: -32.758
flat angles C4'-P-C4' energy: -36.734
flat angles P-C4'-P energy: -26.239
tors. eta vs tors. theta energy: -54.547
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: 6
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -516.721227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.721227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.721227 (E_RNA)
where:
Base-Base interactions energy: -353.067
where: short stacking energy: -154.873
Base-Backbone interact. energy: -0.084
local terms energy: -163.570473
where:
bonds (distance) C4'-P energy: -33.586
bonds (distance) P-C4' energy: -32.315
flat angles C4'-P-C4' energy: -33.808
flat angles P-C4'-P energy: -29.195
tors. eta vs tors. theta energy: -34.666
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: 9
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -501.431626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.431626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.431626 (E_RNA)
where:
Base-Base interactions energy: -344.119
where: short stacking energy: -149.631
Base-Backbone interact. energy: 0.031
local terms energy: -157.343909
where:
bonds (distance) C4'-P energy: -30.813
bonds (distance) P-C4' energy: -37.699
flat angles C4'-P-C4' energy: -33.734
flat angles P-C4'-P energy: -24.303
tors. eta vs tors. theta energy: -30.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -474.774783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.774783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.774783 (E_RNA)
where:
Base-Base interactions energy: -313.411
where: short stacking energy: -157.092
Base-Backbone interact. energy: -0.594
local terms energy: -160.769943
where:
bonds (distance) C4'-P energy: -28.436
bonds (distance) P-C4' energy: -33.901
flat angles C4'-P-C4' energy: -36.603
flat angles P-C4'-P energy: -22.722
tors. eta vs tors. theta energy: -39.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -378.459675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.459675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.459675 (E_RNA)
where:
Base-Base interactions energy: -234.375
where: short stacking energy: -132.056
Base-Backbone interact. energy: -0.563
local terms energy: -143.521997
where:
bonds (distance) C4'-P energy: -32.499
bonds (distance) P-C4' energy: -30.402
flat angles C4'-P-C4' energy: -27.458
flat angles P-C4'-P energy: -23.993
tors. eta vs tors. theta energy: -29.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -389.711989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.711989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.711989 (E_RNA)
where:
Base-Base interactions energy: -242.738
where: short stacking energy: -121.039
Base-Backbone interact. energy: -0.484
local terms energy: -146.489969
where:
bonds (distance) C4'-P energy: -28.953
bonds (distance) P-C4' energy: -29.186
flat angles C4'-P-C4' energy: -35.898
flat angles P-C4'-P energy: -22.070
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: 7, replica: 2
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -352.872638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.872638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.872638 (E_RNA)
where:
Base-Base interactions energy: -212.799
where: short stacking energy: -105.052
Base-Backbone interact. energy: -0.974
local terms energy: -139.098877
where:
bonds (distance) C4'-P energy: -30.754
bonds (distance) P-C4' energy: -32.932
flat angles C4'-P-C4' energy: -26.748
flat angles P-C4'-P energy: -24.277
tors. eta vs tors. theta energy: -24.387
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: 8, replica: 8
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -334.454324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.454324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.454324 (E_RNA)
where:
Base-Base interactions energy: -206.703
where: short stacking energy: -110.607
Base-Backbone interact. energy: -0.361
local terms energy: -127.390508
where:
bonds (distance) C4'-P energy: -31.955
bonds (distance) P-C4' energy: -28.083
flat angles C4'-P-C4' energy: -25.552
flat angles P-C4'-P energy: -22.901
tors. eta vs tors. theta energy: -18.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -232.914879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.914879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.914879 (E_RNA)
where:
Base-Base interactions energy: -109.866
where: short stacking energy: -65.472
Base-Backbone interact. energy: -0.410
local terms energy: -122.639173
where:
bonds (distance) C4'-P energy: -32.917
bonds (distance) P-C4' energy: -27.689
flat angles C4'-P-C4' energy: -29.898
flat angles P-C4'-P energy: -17.621
tors. eta vs tors. theta energy: -14.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -286.885387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.885387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.885387 (E_RNA)
where:
Base-Base interactions energy: -168.573
where: short stacking energy: -70.260
Base-Backbone interact. energy: -0.624
local terms energy: -117.688143
where:
bonds (distance) C4'-P energy: -26.217
bonds (distance) P-C4' energy: -30.227
flat angles C4'-P-C4' energy: -30.532
flat angles P-C4'-P energy: -19.262
tors. eta vs tors. theta energy: -11.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -576.447227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.447227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.447227 (E_RNA)
where:
Base-Base interactions energy: -382.525
where: short stacking energy: -197.502
Base-Backbone interact. energy: -0.016
local terms energy: -193.906727
where:
bonds (distance) C4'-P energy: -32.538
bonds (distance) P-C4' energy: -38.641
flat angles C4'-P-C4' energy: -40.016
flat angles P-C4'-P energy: -28.504
tors. eta vs tors. theta energy: -54.208
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: 9
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -508.641960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.641960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.641960 (E_RNA)
where:
Base-Base interactions energy: -339.709
where: short stacking energy: -157.083
Base-Backbone interact. energy: -0.879
local terms energy: -168.053200
where:
bonds (distance) C4'-P energy: -37.787
bonds (distance) P-C4' energy: -32.066
flat angles C4'-P-C4' energy: -34.936
flat angles P-C4'-P energy: -25.252
tors. eta vs tors. theta energy: -38.012
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: 3, replica: 6
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -507.167925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.167925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.167925 (E_RNA)
where:
Base-Base interactions energy: -347.162
where: short stacking energy: -151.264
Base-Backbone interact. energy: -0.629
local terms energy: -159.377626
where:
bonds (distance) C4'-P energy: -35.225
bonds (distance) P-C4' energy: -32.183
flat angles C4'-P-C4' energy: -38.528
flat angles P-C4'-P energy: -20.402
tors. eta vs tors. theta energy: -33.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -475.096350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.096350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.096350 (E_RNA)
where:
Base-Base interactions energy: -321.045
where: short stacking energy: -138.980
Base-Backbone interact. energy: -1.639
local terms energy: -152.412025
where:
bonds (distance) C4'-P energy: -32.291
bonds (distance) P-C4' energy: -30.397
flat angles C4'-P-C4' energy: -33.032
flat angles P-C4'-P energy: -27.246
tors. eta vs tors. theta energy: -29.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -378.916119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.916119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.916119 (E_RNA)
where:
Base-Base interactions energy: -223.721
where: short stacking energy: -121.179
Base-Backbone interact. energy: 0.092
local terms energy: -155.286956
where:
bonds (distance) C4'-P energy: -30.868
bonds (distance) P-C4' energy: -37.882
flat angles C4'-P-C4' energy: -39.046
flat angles P-C4'-P energy: -22.972
tors. eta vs tors. theta energy: -24.519
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: 10
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -399.173562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.173562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.173562 (E_RNA)
where:
Base-Base interactions energy: -261.481
where: short stacking energy: -131.598
Base-Backbone interact. energy: -0.324
local terms energy: -137.368223
where:
bonds (distance) C4'-P energy: -29.872
bonds (distance) P-C4' energy: -27.250
flat angles C4'-P-C4' energy: -31.452
flat angles P-C4'-P energy: -19.945
tors. eta vs tors. theta energy: -28.849
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: 2
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -370.404150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.404150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.404150 (E_RNA)
where:
Base-Base interactions energy: -228.948
where: short stacking energy: -95.401
Base-Backbone interact. energy: -0.387
local terms energy: -141.069283
where:
bonds (distance) C4'-P energy: -33.502
bonds (distance) P-C4' energy: -34.828
flat angles C4'-P-C4' energy: -34.103
flat angles P-C4'-P energy: -20.722
tors. eta vs tors. theta energy: -17.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -324.471191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.471191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.471191 (E_RNA)
where:
Base-Base interactions energy: -216.900
where: short stacking energy: -102.317
Base-Backbone interact. energy: 1.197
local terms energy: -108.767453
where:
bonds (distance) C4'-P energy: -20.900
bonds (distance) P-C4' energy: -32.489
flat angles C4'-P-C4' energy: -26.903
flat angles P-C4'-P energy: -14.915
tors. eta vs tors. theta energy: -13.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -225.540215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.540215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.540215 (E_RNA)
where:
Base-Base interactions energy: -115.007
where: short stacking energy: -71.155
Base-Backbone interact. energy: 0.977
local terms energy: -111.510690
where:
bonds (distance) C4'-P energy: -25.553
bonds (distance) P-C4' energy: -30.292
flat angles C4'-P-C4' energy: -27.110
flat angles P-C4'-P energy: -18.113
tors. eta vs tors. theta energy: -10.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -271.540439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.540439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.540439 (E_RNA)
where:
Base-Base interactions energy: -162.376
where: short stacking energy: -69.612
Base-Backbone interact. energy: 0.405
local terms energy: -109.569004
where:
bonds (distance) C4'-P energy: -23.774
bonds (distance) P-C4' energy: -36.899
flat angles C4'-P-C4' energy: -26.672
flat angles P-C4'-P energy: -12.251
tors. eta vs tors. theta energy: -9.972
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: 1, replica: 5
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -562.768038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.768038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.768038 (E_RNA)
where:
Base-Base interactions energy: -373.264
where: short stacking energy: -201.839
Base-Backbone interact. energy: -0.034
local terms energy: -189.470700
where:
bonds (distance) C4'-P energy: -37.752
bonds (distance) P-C4' energy: -33.900
flat angles C4'-P-C4' energy: -37.203
flat angles P-C4'-P energy: -26.906
tors. eta vs tors. theta energy: -53.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -515.271820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.271820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.271820 (E_RNA)
where:
Base-Base interactions energy: -347.133
where: short stacking energy: -155.754
Base-Backbone interact. energy: -0.431
local terms energy: -167.707654
where:
bonds (distance) C4'-P energy: -38.936
bonds (distance) P-C4' energy: -35.712
flat angles C4'-P-C4' energy: -35.702
flat angles P-C4'-P energy: -19.819
tors. eta vs tors. theta energy: -37.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -501.672049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.672049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.672049 (E_RNA)
where:
Base-Base interactions energy: -339.515
where: short stacking energy: -137.369
Base-Backbone interact. energy: -0.861
local terms energy: -161.296050
where:
bonds (distance) C4'-P energy: -36.463
bonds (distance) P-C4' energy: -33.116
flat angles C4'-P-C4' energy: -35.209
flat angles P-C4'-P energy: -20.906
tors. eta vs tors. theta energy: -35.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -468.059072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.059072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.059072 (E_RNA)
where:
Base-Base interactions energy: -315.639
where: short stacking energy: -154.283
Base-Backbone interact. energy: -0.825
local terms energy: -151.594698
where:
bonds (distance) C4'-P energy: -25.161
bonds (distance) P-C4' energy: -32.325
flat angles C4'-P-C4' energy: -36.294
flat angles P-C4'-P energy: -25.060
tors. eta vs tors. theta energy: -32.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -399.870050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.870050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.870050 (E_RNA)
where:
Base-Base interactions energy: -265.393
where: short stacking energy: -120.402
Base-Backbone interact. energy: 0.159
local terms energy: -134.636533
where:
bonds (distance) C4'-P energy: -36.220
bonds (distance) P-C4' energy: -29.479
flat angles C4'-P-C4' energy: -29.217
flat angles P-C4'-P energy: -21.311
tors. eta vs tors. theta energy: -18.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -361.126946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.126946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.126946 (E_RNA)
where:
Base-Base interactions energy: -229.508
where: short stacking energy: -130.511
Base-Backbone interact. energy: -0.445
local terms energy: -131.173969
where:
bonds (distance) C4'-P energy: -20.452
bonds (distance) P-C4' energy: -30.586
flat angles C4'-P-C4' energy: -33.566
flat angles P-C4'-P energy: -23.800
tors. eta vs tors. theta energy: -22.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -368.345694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.345694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.345694 (E_RNA)
where:
Base-Base interactions energy: -242.401
where: short stacking energy: -100.878
Base-Backbone interact. energy: 0.458
local terms energy: -126.403208
where:
bonds (distance) C4'-P energy: -30.991
bonds (distance) P-C4' energy: -28.376
flat angles C4'-P-C4' energy: -31.442
flat angles P-C4'-P energy: -19.958
tors. eta vs tors. theta energy: -15.636
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: 8
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -326.731721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.731721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.731721 (E_RNA)
where:
Base-Base interactions energy: -205.563
where: short stacking energy: -114.883
Base-Backbone interact. energy: 0.691
local terms energy: -121.859047
where:
bonds (distance) C4'-P energy: -25.922
bonds (distance) P-C4' energy: -28.503
flat angles C4'-P-C4' energy: -29.032
flat angles P-C4'-P energy: -18.846
tors. eta vs tors. theta energy: -19.556
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: 1
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -241.635046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.635046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.635046 (E_RNA)
where:
Base-Base interactions energy: -121.782
where: short stacking energy: -74.310
Base-Backbone interact. energy: -0.043
local terms energy: -119.809632
where:
bonds (distance) C4'-P energy: -25.809
bonds (distance) P-C4' energy: -32.413
flat angles C4'-P-C4' energy: -33.342
flat angles P-C4'-P energy: -20.465
tors. eta vs tors. theta energy: -7.780
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: 10, replica: 7
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -237.694869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.694869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.694869 (E_RNA)
where:
Base-Base interactions energy: -113.923
where: short stacking energy: -62.375
Base-Backbone interact. energy: -0.276
local terms energy: -123.496133
where:
bonds (distance) C4'-P energy: -28.680
bonds (distance) P-C4' energy: -36.992
flat angles C4'-P-C4' energy: -26.980
flat angles P-C4'-P energy: -20.619
tors. eta vs tors. theta energy: -10.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -563.218559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.218559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.218559 (E_RNA)
where:
Base-Base interactions energy: -380.657
where: short stacking energy: -183.834
Base-Backbone interact. energy: -0.101
local terms energy: -182.460061
where:
bonds (distance) C4'-P energy: -35.831
bonds (distance) P-C4' energy: -30.348
flat angles C4'-P-C4' energy: -36.622
flat angles P-C4'-P energy: -25.594
tors. eta vs tors. theta energy: -54.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -503.489362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.489362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.489362 (E_RNA)
where:
Base-Base interactions energy: -339.312
where: short stacking energy: -146.441
Base-Backbone interact. energy: -0.401
local terms energy: -163.775978
where:
bonds (distance) C4'-P energy: -30.546
bonds (distance) P-C4' energy: -38.400
flat angles C4'-P-C4' energy: -38.814
flat angles P-C4'-P energy: -26.723
tors. eta vs tors. theta energy: -29.293
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: 9
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -507.869054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.869054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.869054 (E_RNA)
where:
Base-Base interactions energy: -342.037
where: short stacking energy: -150.725
Base-Backbone interact. energy: -0.866
local terms energy: -164.965927
where:
bonds (distance) C4'-P energy: -36.146
bonds (distance) P-C4' energy: -31.858
flat angles C4'-P-C4' energy: -33.167
flat angles P-C4'-P energy: -24.737
tors. eta vs tors. theta energy: -39.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -420.928360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.928360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.928360 (E_RNA)
where:
Base-Base interactions energy: -280.072
where: short stacking energy: -129.006
Base-Backbone interact. energy: -1.026
local terms energy: -139.829991
where:
bonds (distance) C4'-P energy: -35.915
bonds (distance) P-C4' energy: -27.613
flat angles C4'-P-C4' energy: -37.276
flat angles P-C4'-P energy: -14.924
tors. eta vs tors. theta energy: -24.102
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: 10
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -422.117538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.117538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.117538 (E_RNA)
where:
Base-Base interactions energy: -278.150
where: short stacking energy: -135.125
Base-Backbone interact. energy: -0.458
local terms energy: -143.508632
where:
bonds (distance) C4'-P energy: -31.111
bonds (distance) P-C4' energy: -27.320
flat angles C4'-P-C4' energy: -27.360
flat angles P-C4'-P energy: -20.016
tors. eta vs tors. theta energy: -37.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -411.005286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.005286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.005286 (E_RNA)
where:
Base-Base interactions energy: -268.167
where: short stacking energy: -132.811
Base-Backbone interact. energy: -0.426
local terms energy: -142.411657
where:
bonds (distance) C4'-P energy: -33.603
bonds (distance) P-C4' energy: -19.211
flat angles C4'-P-C4' energy: -36.437
flat angles P-C4'-P energy: -17.382
tors. eta vs tors. theta energy: -35.779
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: 3
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -323.816511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.816511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.816511 (E_RNA)
where:
Base-Base interactions energy: -180.969
where: short stacking energy: -95.658
Base-Backbone interact. energy: -0.518
local terms energy: -142.329872
where:
bonds (distance) C4'-P energy: -38.837
bonds (distance) P-C4' energy: -32.055
flat angles C4'-P-C4' energy: -33.854
flat angles P-C4'-P energy: -15.005
tors. eta vs tors. theta energy: -22.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -329.138629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.138629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.138629 (E_RNA)
where:
Base-Base interactions energy: -185.727
where: short stacking energy: -95.491
Base-Backbone interact. energy: 0.043
local terms energy: -143.455204
where:
bonds (distance) C4'-P energy: -35.376
bonds (distance) P-C4' energy: -26.616
flat angles C4'-P-C4' energy: -31.768
flat angles P-C4'-P energy: -26.133
tors. eta vs tors. theta energy: -23.562
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: 1
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -238.395756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.395756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.395756 (E_RNA)
where:
Base-Base interactions energy: -129.185
where: short stacking energy: -77.214
Base-Backbone interact. energy: -0.275
local terms energy: -108.936128
where:
bonds (distance) C4'-P energy: -24.424
bonds (distance) P-C4' energy: -33.324
flat angles C4'-P-C4' energy: -32.756
flat angles P-C4'-P energy: -7.465
tors. eta vs tors. theta energy: -10.966
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: 7
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -213.700642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.700642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.700642 (E_RNA)
where:
Base-Base interactions energy: -115.975
where: short stacking energy: -66.266
Base-Backbone interact. energy: 0.539
local terms energy: -98.265168
where:
bonds (distance) C4'-P energy: -28.586
bonds (distance) P-C4' energy: -26.751
flat angles C4'-P-C4' energy: -23.299
flat angles P-C4'-P energy: -15.397
tors. eta vs tors. theta energy: -4.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -574.601669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.601669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.601669 (E_RNA)
where:
Base-Base interactions energy: -382.120
where: short stacking energy: -194.771
Base-Backbone interact. energy: -0.907
local terms energy: -191.573996
where:
bonds (distance) C4'-P energy: -34.679
bonds (distance) P-C4' energy: -34.935
flat angles C4'-P-C4' energy: -39.661
flat angles P-C4'-P energy: -25.939
tors. eta vs tors. theta energy: -56.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -522.348021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.348021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.348021 (E_RNA)
where:
Base-Base interactions energy: -358.847
where: short stacking energy: -162.070
Base-Backbone interact. energy: 0.114
local terms energy: -163.614926
where:
bonds (distance) C4'-P energy: -33.296
bonds (distance) P-C4' energy: -34.209
flat angles C4'-P-C4' energy: -32.943
flat angles P-C4'-P energy: -21.042
tors. eta vs tors. theta energy: -42.124
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: 9
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -529.556283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.556283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.556283 (E_RNA)
where:
Base-Base interactions energy: -355.223
where: short stacking energy: -163.783
Base-Backbone interact. energy: 0.439
local terms energy: -174.772447
where:
bonds (distance) C4'-P energy: -31.795
bonds (distance) P-C4' energy: -29.819
flat angles C4'-P-C4' energy: -38.617
flat angles P-C4'-P energy: -28.354
tors. eta vs tors. theta energy: -46.188
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: 4, replica: 4
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -438.569120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.569120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.569120 (E_RNA)
where:
Base-Base interactions energy: -292.511
where: short stacking energy: -150.700
Base-Backbone interact. energy: 1.420
local terms energy: -147.477973
where:
bonds (distance) C4'-P energy: -29.747
bonds (distance) P-C4' energy: -26.362
flat angles C4'-P-C4' energy: -35.744
flat angles P-C4'-P energy: -21.607
tors. eta vs tors. theta energy: -34.018
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: 124
Temperature: 1.100000
Total energy: -431.767968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.767968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.767968 (E_RNA)
where:
Base-Base interactions energy: -266.461
where: short stacking energy: -125.334
Base-Backbone interact. energy: -0.700
local terms energy: -164.607576
where:
bonds (distance) C4'-P energy: -31.457
bonds (distance) P-C4' energy: -37.725
flat angles C4'-P-C4' energy: -34.061
flat angles P-C4'-P energy: -24.412
tors. eta vs tors. theta energy: -36.952
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: 6, replica: 10
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -413.248708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.248708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.248708 (E_RNA)
where:
Base-Base interactions energy: -270.860
where: short stacking energy: -132.748
Base-Backbone interact. energy: -0.104
local terms energy: -142.284576
where:
bonds (distance) C4'-P energy: -22.168
bonds (distance) P-C4' energy: -26.011
flat angles C4'-P-C4' energy: -35.461
flat angles P-C4'-P energy: -21.988
tors. eta vs tors. theta energy: -36.657
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: 7, replica: 3
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -325.536959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.536959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.536959 (E_RNA)
where:
Base-Base interactions energy: -196.735
where: short stacking energy: -101.266
Base-Backbone interact. energy: 0.428
local terms energy: -129.229932
where:
bonds (distance) C4'-P energy: -29.879
bonds (distance) P-C4' energy: -33.049
flat angles C4'-P-C4' energy: -26.068
flat angles P-C4'-P energy: -24.442
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: 8, replica: 8
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -317.977098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.977098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.977098 (E_RNA)
where:
Base-Base interactions energy: -202.647
where: short stacking energy: -98.840
Base-Backbone interact. energy: -0.826
local terms energy: -114.504538
where:
bonds (distance) C4'-P energy: -29.160
bonds (distance) P-C4' energy: -31.137
flat angles C4'-P-C4' energy: -23.122
flat angles P-C4'-P energy: -20.490
tors. eta vs tors. theta energy: -10.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -249.583982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.583982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.583982 (E_RNA)
where:
Base-Base interactions energy: -141.173
where: short stacking energy: -92.753
Base-Backbone interact. energy: -0.452
local terms energy: -107.958920
where:
bonds (distance) C4'-P energy: -29.569
bonds (distance) P-C4' energy: -21.015
flat angles C4'-P-C4' energy: -23.987
flat angles P-C4'-P energy: -16.878
tors. eta vs tors. theta energy: -16.509
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: 1
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -219.332916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.332916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.332916 (E_RNA)
where:
Base-Base interactions energy: -120.266
where: short stacking energy: -59.485
Base-Backbone interact. energy: 0.753
local terms energy: -99.820427
where:
bonds (distance) C4'-P energy: -28.717
bonds (distance) P-C4' energy: -29.471
flat angles C4'-P-C4' energy: -18.043
flat angles P-C4'-P energy: -26.267
tors. eta vs tors. theta energy: 2.678
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: 5
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -550.261881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.261881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.261881 (E_RNA)
where:
Base-Base interactions energy: -371.318
where: short stacking energy: -184.815
Base-Backbone interact. energy: -0.873
local terms energy: -178.070796
where:
bonds (distance) C4'-P energy: -32.300
bonds (distance) P-C4' energy: -39.066
flat angles C4'-P-C4' energy: -30.527
flat angles P-C4'-P energy: -23.599
tors. eta vs tors. theta energy: -52.578
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: 9
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -535.395924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.395924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.395924 (E_RNA)
where:
Base-Base interactions energy: -363.757
where: short stacking energy: -160.535
Base-Backbone interact. energy: -0.460
local terms energy: -171.178588
where:
bonds (distance) C4'-P energy: -30.187
bonds (distance) P-C4' energy: -36.123
flat angles C4'-P-C4' energy: -36.810
flat angles P-C4'-P energy: -22.075
tors. eta vs tors. theta energy: -45.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -524.193048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.193048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.193048 (E_RNA)
where:
Base-Base interactions energy: -356.804
where: short stacking energy: -160.801
Base-Backbone interact. energy: -0.715
local terms energy: -166.673464
where:
bonds (distance) C4'-P energy: -36.315
bonds (distance) P-C4' energy: -27.591
flat angles C4'-P-C4' energy: -34.321
flat angles P-C4'-P energy: -27.324
tors. eta vs tors. theta energy: -41.124
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: 4
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -437.452123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.452123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.452123 (E_RNA)
where:
Base-Base interactions energy: -280.985
where: short stacking energy: -140.915
Base-Backbone interact. energy: -0.285
local terms energy: -156.181424
where:
bonds (distance) C4'-P energy: -34.424
bonds (distance) P-C4' energy: -32.354
flat angles C4'-P-C4' energy: -36.952
flat angles P-C4'-P energy: -20.224
tors. eta vs tors. theta energy: -32.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -438.403304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.403304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.403304 (E_RNA)
where:
Base-Base interactions energy: -267.023
where: short stacking energy: -142.753
Base-Backbone interact. energy: -1.304
local terms energy: -170.076211
where:
bonds (distance) C4'-P energy: -34.975
bonds (distance) P-C4' energy: -31.949
flat angles C4'-P-C4' energy: -35.081
flat angles P-C4'-P energy: -24.975
tors. eta vs tors. theta energy: -43.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -424.228907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.228907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.228907 (E_RNA)
where:
Base-Base interactions energy: -279.159
where: short stacking energy: -139.619
Base-Backbone interact. energy: -0.290
local terms energy: -144.779922
where:
bonds (distance) C4'-P energy: -32.592
bonds (distance) P-C4' energy: -29.089
flat angles C4'-P-C4' energy: -32.785
flat angles P-C4'-P energy: -20.117
tors. eta vs tors. theta energy: -30.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -343.229634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.229634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.229634 (E_RNA)
where:
Base-Base interactions energy: -224.341
where: short stacking energy: -112.520
Base-Backbone interact. energy: -0.426
local terms energy: -118.462653
where:
bonds (distance) C4'-P energy: -25.467
bonds (distance) P-C4' energy: -25.713
flat angles C4'-P-C4' energy: -28.225
flat angles P-C4'-P energy: -21.686
tors. eta vs tors. theta energy: -17.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -308.721184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.721184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.721184 (E_RNA)
where:
Base-Base interactions energy: -189.650
where: short stacking energy: -93.815
Base-Backbone interact. energy: -0.219
local terms energy: -118.852192
where:
bonds (distance) C4'-P energy: -27.572
bonds (distance) P-C4' energy: -34.852
flat angles C4'-P-C4' energy: -30.915
flat angles P-C4'-P energy: -13.496
tors. eta vs tors. theta energy: -12.017
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: 7
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -230.180461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.180461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.180461 (E_RNA)
where:
Base-Base interactions energy: -126.393
where: short stacking energy: -62.105
Base-Backbone interact. energy: -0.633
local terms energy: -103.154237
where:
bonds (distance) C4'-P energy: -25.609
bonds (distance) P-C4' energy: -30.840
flat angles C4'-P-C4' energy: -25.202
flat angles P-C4'-P energy: -20.381
tors. eta vs tors. theta energy: -1.123
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: 10, replica: 1
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -286.295791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.295791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.295791 (E_RNA)
where:
Base-Base interactions energy: -179.877
where: short stacking energy: -74.195
Base-Backbone interact. energy: -1.073
local terms energy: -105.345264
where:
bonds (distance) C4'-P energy: -22.286
bonds (distance) P-C4' energy: -32.005
flat angles C4'-P-C4' energy: -24.637
flat angles P-C4'-P energy: -16.867
tors. eta vs tors. theta energy: -9.550
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: 126
Temperature: 0.900000
Total energy: -547.317794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.317794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.317794 (E_RNA)
where:
Base-Base interactions energy: -369.728
where: short stacking energy: -170.815
Base-Backbone interact. energy: -0.347
local terms energy: -177.243017
where:
bonds (distance) C4'-P energy: -32.785
bonds (distance) P-C4' energy: -37.353
flat angles C4'-P-C4' energy: -38.189
flat angles P-C4'-P energy: -22.106
tors. eta vs tors. theta energy: -46.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -531.327389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.327389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.327389 (E_RNA)
where:
Base-Base interactions energy: -348.103
where: short stacking energy: -163.658
Base-Backbone interact. energy: -0.131
local terms energy: -183.093360
where:
bonds (distance) C4'-P energy: -35.764
bonds (distance) P-C4' energy: -33.140
flat angles C4'-P-C4' energy: -31.868
flat angles P-C4'-P energy: -30.822
tors. eta vs tors. theta energy: -51.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -518.182681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.182681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.182681 (E_RNA)
where:
Base-Base interactions energy: -356.750
where: short stacking energy: -156.838
Base-Backbone interact. energy: -1.016
local terms energy: -160.416374
where:
bonds (distance) C4'-P energy: -35.362
bonds (distance) P-C4' energy: -34.274
flat angles C4'-P-C4' energy: -34.248
flat angles P-C4'-P energy: -14.341
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: 4, replica: 4
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -431.875698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.875698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.875698 (E_RNA)
where:
Base-Base interactions energy: -283.544
where: short stacking energy: -127.739
Base-Backbone interact. energy: -0.517
local terms energy: -147.815128
where:
bonds (distance) C4'-P energy: -34.480
bonds (distance) P-C4' energy: -26.683
flat angles C4'-P-C4' energy: -31.723
flat angles P-C4'-P energy: -26.709
tors. eta vs tors. theta energy: -28.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -459.734779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.734779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.734779 (E_RNA)
where:
Base-Base interactions energy: -299.445
where: short stacking energy: -145.612
Base-Backbone interact. energy: 0.117
local terms energy: -160.407092
where:
bonds (distance) C4'-P energy: -32.191
bonds (distance) P-C4' energy: -33.956
flat angles C4'-P-C4' energy: -34.442
flat angles P-C4'-P energy: -21.760
tors. eta vs tors. theta energy: -38.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -402.708621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.708621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.708621 (E_RNA)
where:
Base-Base interactions energy: -267.526
where: short stacking energy: -125.574
Base-Backbone interact. energy: -0.994
local terms energy: -134.188610
where:
bonds (distance) C4'-P energy: -22.860
bonds (distance) P-C4' energy: -23.111
flat angles C4'-P-C4' energy: -30.497
flat angles P-C4'-P energy: -27.272
tors. eta vs tors. theta energy: -30.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -322.223695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.223695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.223695 (E_RNA)
where:
Base-Base interactions energy: -194.296
where: short stacking energy: -81.401
Base-Backbone interact. energy: -0.415
local terms energy: -127.512523
where:
bonds (distance) C4'-P energy: -26.906
bonds (distance) P-C4' energy: -39.107
flat angles C4'-P-C4' energy: -30.884
flat angles P-C4'-P energy: -18.427
tors. eta vs tors. theta energy: -12.189
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: 8, replica: 8
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -328.282325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.282325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.282325 (E_RNA)
where:
Base-Base interactions energy: -204.595
where: short stacking energy: -106.473
Base-Backbone interact. energy: 2.130
local terms energy: -125.816799
where:
bonds (distance) C4'-P energy: -31.828
bonds (distance) P-C4' energy: -20.129
flat angles C4'-P-C4' energy: -33.999
flat angles P-C4'-P energy: -16.395
tors. eta vs tors. theta energy: -23.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -317.662930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.662930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.662930 (E_RNA)
where:
Base-Base interactions energy: -201.951
where: short stacking energy: -94.531
Base-Backbone interact. energy: -0.684
local terms energy: -115.027980
where:
bonds (distance) C4'-P energy: -26.371
bonds (distance) P-C4' energy: -30.808
flat angles C4'-P-C4' energy: -21.216
flat angles P-C4'-P energy: -14.341
tors. eta vs tors. theta energy: -22.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -226.893798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.893798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.893798 (E_RNA)
where:
Base-Base interactions energy: -123.391
where: short stacking energy: -60.187
Base-Backbone interact. energy: -1.386
local terms energy: -102.117297
where:
bonds (distance) C4'-P energy: -27.615
bonds (distance) P-C4' energy: -27.120
flat angles C4'-P-C4' energy: -30.516
flat angles P-C4'-P energy: -17.476
tors. eta vs tors. theta energy: 0.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -536.991255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.991255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.991255 (E_RNA)
where:
Base-Base interactions energy: -359.745
where: short stacking energy: -160.524
Base-Backbone interact. energy: 0.201
local terms energy: -177.447578
where:
bonds (distance) C4'-P energy: -35.818
bonds (distance) P-C4' energy: -36.660
flat angles C4'-P-C4' energy: -38.134
flat angles P-C4'-P energy: -23.839
tors. eta vs tors. theta energy: -42.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -538.470504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.470504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.470504 (E_RNA)
where:
Base-Base interactions energy: -355.176
where: short stacking energy: -175.090
Base-Backbone interact. energy: -0.959
local terms energy: -182.335057
where:
bonds (distance) C4'-P energy: -38.576
bonds (distance) P-C4' energy: -37.184
flat angles C4'-P-C4' energy: -36.252
flat angles P-C4'-P energy: -19.829
tors. eta vs tors. theta energy: -50.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -536.659139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.659139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.659139 (E_RNA)
where:
Base-Base interactions energy: -362.698
where: short stacking energy: -164.403
Base-Backbone interact. energy: -1.357
local terms energy: -172.603899
where:
bonds (distance) C4'-P energy: -24.080
bonds (distance) P-C4' energy: -39.868
flat angles C4'-P-C4' energy: -35.763
flat angles P-C4'-P energy: -27.468
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: 4, replica: 4
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -429.884378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.884378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.884378 (E_RNA)
where:
Base-Base interactions energy: -290.646
where: short stacking energy: -151.490
Base-Backbone interact. energy: -0.402
local terms energy: -138.836310
where:
bonds (distance) C4'-P energy: -24.132
bonds (distance) P-C4' energy: -27.540
flat angles C4'-P-C4' energy: -34.898
flat angles P-C4'-P energy: -19.777
tors. eta vs tors. theta energy: -32.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -441.159178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.159178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.159178 (E_RNA)
where:
Base-Base interactions energy: -285.867
where: short stacking energy: -144.297
Base-Backbone interact. energy: -1.179
local terms energy: -154.113373
where:
bonds (distance) C4'-P energy: -33.008
bonds (distance) P-C4' energy: -34.160
flat angles C4'-P-C4' energy: -31.456
flat angles P-C4'-P energy: -20.263
tors. eta vs tors. theta energy: -35.226
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: 2
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -423.479129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.479129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.479129 (E_RNA)
where:
Base-Base interactions energy: -272.715
where: short stacking energy: -135.509
Base-Backbone interact. energy: -0.976
local terms energy: -149.788847
where:
bonds (distance) C4'-P energy: -35.594
bonds (distance) P-C4' energy: -27.799
flat angles C4'-P-C4' energy: -38.473
flat angles P-C4'-P energy: -12.838
tors. eta vs tors. theta energy: -35.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -315.232267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.232267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.232267 (E_RNA)
where:
Base-Base interactions energy: -190.974
where: short stacking energy: -101.308
Base-Backbone interact. energy: -0.478
local terms energy: -123.780716
where:
bonds (distance) C4'-P energy: -26.940
bonds (distance) P-C4' energy: -29.621
flat angles C4'-P-C4' energy: -33.309
flat angles P-C4'-P energy: -15.824
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: 8, replica: 8
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -316.601699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.601699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.601699 (E_RNA)
where:
Base-Base interactions energy: -205.772
where: short stacking energy: -88.371
Base-Backbone interact. energy: -0.116
local terms energy: -110.714440
where:
bonds (distance) C4'-P energy: -25.260
bonds (distance) P-C4' energy: -29.189
flat angles C4'-P-C4' energy: -31.294
flat angles P-C4'-P energy: -15.814
tors. eta vs tors. theta energy: -9.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -295.032791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.032791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.032791 (E_RNA)
where:
Base-Base interactions energy: -186.143
where: short stacking energy: -88.992
Base-Backbone interact. energy: -0.384
local terms energy: -108.505886
where:
bonds (distance) C4'-P energy: -19.449
bonds (distance) P-C4' energy: -27.295
flat angles C4'-P-C4' energy: -30.022
flat angles P-C4'-P energy: -16.998
tors. eta vs tors. theta energy: -14.742
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: 127
Temperature: 1.350000
Total energy: -212.964896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.964896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.964896 (E_RNA)
where:
Base-Base interactions energy: -111.166
where: short stacking energy: -65.847
Base-Backbone interact. energy: 1.205
local terms energy: -103.003625
where:
bonds (distance) C4'-P energy: -30.577
bonds (distance) P-C4' energy: -28.690
flat angles C4'-P-C4' energy: -26.327
flat angles P-C4'-P energy: -14.582
tors. eta vs tors. theta energy: -2.829
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: 1, replica: 5
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -557.081309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.081309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.081309 (E_RNA)
where:
Base-Base interactions energy: -364.074
where: short stacking energy: -188.842
Base-Backbone interact. energy: -0.470
local terms energy: -192.536442
where:
bonds (distance) C4'-P energy: -37.422
bonds (distance) P-C4' energy: -36.182
flat angles C4'-P-C4' energy: -38.961
flat angles P-C4'-P energy: -22.661
tors. eta vs tors. theta energy: -57.310
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: 2, replica: 9
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -526.969682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.969682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.969682 (E_RNA)
where:
Base-Base interactions energy: -359.185
where: short stacking energy: -158.899
Base-Backbone interact. energy: 0.774
local terms energy: -168.559500
where:
bonds (distance) C4'-P energy: -29.636
bonds (distance) P-C4' energy: -33.427
flat angles C4'-P-C4' energy: -40.352
flat angles P-C4'-P energy: -25.784
tors. eta vs tors. theta energy: -39.361
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: 6
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -516.434872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.434872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.434872 (E_RNA)
where:
Base-Base interactions energy: -353.196
where: short stacking energy: -163.351
Base-Backbone interact. energy: -1.090
local terms energy: -162.148865
where:
bonds (distance) C4'-P energy: -31.448
bonds (distance) P-C4' energy: -34.779
flat angles C4'-P-C4' energy: -30.116
flat angles P-C4'-P energy: -24.055
tors. eta vs tors. theta energy: -41.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -429.610237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.610237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.610237 (E_RNA)
where:
Base-Base interactions energy: -290.383
where: short stacking energy: -141.170
Base-Backbone interact. energy: 2.126
local terms energy: -141.353686
where:
bonds (distance) C4'-P energy: -25.473
bonds (distance) P-C4' energy: -26.418
flat angles C4'-P-C4' energy: -34.926
flat angles P-C4'-P energy: -21.036
tors. eta vs tors. theta energy: -33.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -443.142521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.142521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.142521 (E_RNA)
where:
Base-Base interactions energy: -283.879
where: short stacking energy: -139.292
Base-Backbone interact. energy: -0.523
local terms energy: -158.741246
where:
bonds (distance) C4'-P energy: -19.191
bonds (distance) P-C4' energy: -37.585
flat angles C4'-P-C4' energy: -40.173
flat angles P-C4'-P energy: -27.073
tors. eta vs tors. theta energy: -34.720
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: 10
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -411.761919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.761919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.761919 (E_RNA)
where:
Base-Base interactions energy: -268.526
where: short stacking energy: -133.204
Base-Backbone interact. energy: -0.113
local terms energy: -143.123477
where:
bonds (distance) C4'-P energy: -31.224
bonds (distance) P-C4' energy: -26.912
flat angles C4'-P-C4' energy: -33.766
flat angles P-C4'-P energy: -17.628
tors. eta vs tors. theta energy: -33.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -375.041928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.041928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.041928 (E_RNA)
where:
Base-Base interactions energy: -224.919
where: short stacking energy: -118.045
Base-Backbone interact. energy: -1.244
local terms energy: -148.878383
where:
bonds (distance) C4'-P energy: -30.316
bonds (distance) P-C4' energy: -34.246
flat angles C4'-P-C4' energy: -30.323
flat angles P-C4'-P energy: -24.013
tors. eta vs tors. theta energy: -29.980
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: 8
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -322.415844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.415844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.415844 (E_RNA)
where:
Base-Base interactions energy: -204.354
where: short stacking energy: -103.927
Base-Backbone interact. energy: -0.515
local terms energy: -117.546885
where:
bonds (distance) C4'-P energy: -24.341
bonds (distance) P-C4' energy: -22.779
flat angles C4'-P-C4' energy: -26.216
flat angles P-C4'-P energy: -25.426
tors. eta vs tors. theta energy: -18.785
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: 1
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -276.170785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.170785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.170785 (E_RNA)
where:
Base-Base interactions energy: -166.945
where: short stacking energy: -75.484
Base-Backbone interact. energy: -0.467
local terms energy: -108.759001
where:
bonds (distance) C4'-P energy: -30.027
bonds (distance) P-C4' energy: -37.316
flat angles C4'-P-C4' energy: -21.521
flat angles P-C4'-P energy: -13.043
tors. eta vs tors. theta energy: -6.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -242.620580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.620580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.620580 (E_RNA)
where:
Base-Base interactions energy: -124.860
where: short stacking energy: -69.061
Base-Backbone interact. energy: -0.773
local terms energy: -116.987432
where:
bonds (distance) C4'-P energy: -28.589
bonds (distance) P-C4' energy: -33.895
flat angles C4'-P-C4' energy: -31.966
flat angles P-C4'-P energy: -15.377
tors. eta vs tors. theta energy: -7.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -546.502334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.502334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.502334 (E_RNA)
where:
Base-Base interactions energy: -364.376
where: short stacking energy: -179.769
Base-Backbone interact. energy: -0.325
local terms energy: -181.801638
where:
bonds (distance) C4'-P energy: -36.367
bonds (distance) P-C4' energy: -29.255
flat angles C4'-P-C4' energy: -36.667
flat angles P-C4'-P energy: -25.126
tors. eta vs tors. theta energy: -54.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -539.099244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.099244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.099244 (E_RNA)
where:
Base-Base interactions energy: -369.262
where: short stacking energy: -163.120
Base-Backbone interact. energy: 1.081
local terms energy: -170.918261
where:
bonds (distance) C4'-P energy: -30.617
bonds (distance) P-C4' energy: -33.422
flat angles C4'-P-C4' energy: -35.857
flat angles P-C4'-P energy: -24.417
tors. eta vs tors. theta energy: -46.604
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: 3, replica: 9
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -490.663549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.663549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.663549 (E_RNA)
where:
Base-Base interactions energy: -327.936
where: short stacking energy: -139.694
Base-Backbone interact. energy: 0.880
local terms energy: -163.607973
where:
bonds (distance) C4'-P energy: -30.853
bonds (distance) P-C4' energy: -32.849
flat angles C4'-P-C4' energy: -35.402
flat angles P-C4'-P energy: -26.208
tors. eta vs tors. theta energy: -38.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -427.571162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.571162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.571162 (E_RNA)
where:
Base-Base interactions energy: -280.862
where: short stacking energy: -123.476
Base-Backbone interact. energy: 0.757
local terms energy: -147.465619
where:
bonds (distance) C4'-P energy: -30.300
bonds (distance) P-C4' energy: -36.258
flat angles C4'-P-C4' energy: -38.261
flat angles P-C4'-P energy: -21.737
tors. eta vs tors. theta energy: -20.910
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: 2
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -429.669728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.669728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.669728 (E_RNA)
where:
Base-Base interactions energy: -269.742
where: short stacking energy: -139.664
Base-Backbone interact. energy: -0.364
local terms energy: -159.564518
where:
bonds (distance) C4'-P energy: -33.485
bonds (distance) P-C4' energy: -36.572
flat angles C4'-P-C4' energy: -36.492
flat angles P-C4'-P energy: -14.681
tors. eta vs tors. theta energy: -38.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -421.151594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.151594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.151594 (E_RNA)
where:
Base-Base interactions energy: -287.349
where: short stacking energy: -135.803
Base-Backbone interact. energy: -1.222
local terms energy: -132.580895
where:
bonds (distance) C4'-P energy: -25.476
bonds (distance) P-C4' energy: -24.836
flat angles C4'-P-C4' energy: -26.204
flat angles P-C4'-P energy: -18.488
tors. eta vs tors. theta energy: -37.576
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: 3
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -354.861379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.861379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.861379 (E_RNA)
where:
Base-Base interactions energy: -204.629
where: short stacking energy: -115.295
Base-Backbone interact. energy: 1.411
local terms energy: -151.643393
where:
bonds (distance) C4'-P energy: -27.894
bonds (distance) P-C4' energy: -38.440
flat angles C4'-P-C4' energy: -31.978
flat angles P-C4'-P energy: -23.002
tors. eta vs tors. theta energy: -30.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -315.898214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.898214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.898214 (E_RNA)
where:
Base-Base interactions energy: -191.799
where: short stacking energy: -83.708
Base-Backbone interact. energy: -0.909
local terms energy: -123.190846
where:
bonds (distance) C4'-P energy: -30.031
bonds (distance) P-C4' energy: -38.936
flat angles C4'-P-C4' energy: -20.291
flat angles P-C4'-P energy: -17.182
tors. eta vs tors. theta energy: -16.751
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: 9, replica: 1
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -316.684535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.684535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.684535 (E_RNA)
where:
Base-Base interactions energy: -197.094
where: short stacking energy: -98.751
Base-Backbone interact. energy: -0.136
local terms energy: -119.454553
where:
bonds (distance) C4'-P energy: -22.173
bonds (distance) P-C4' energy: -33.443
flat angles C4'-P-C4' energy: -26.191
flat angles P-C4'-P energy: -18.703
tors. eta vs tors. theta energy: -18.944
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: 7
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -177.883200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.883200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.883200 (E_RNA)
where:
Base-Base interactions energy: -57.073
where: short stacking energy: -52.548
Base-Backbone interact. energy: 0.497
local terms energy: -121.308035
where:
bonds (distance) C4'-P energy: -35.461
bonds (distance) P-C4' energy: -33.776
flat angles C4'-P-C4' energy: -28.950
flat angles P-C4'-P energy: -16.316
tors. eta vs tors. theta energy: -6.806
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: 6
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -547.011792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.011792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.011792 (E_RNA)
where:
Base-Base interactions energy: -370.204
where: short stacking energy: -166.408
Base-Backbone interact. energy: 0.044
local terms energy: -176.852498
where:
bonds (distance) C4'-P energy: -29.942
bonds (distance) P-C4' energy: -36.715
flat angles C4'-P-C4' energy: -41.098
flat angles P-C4'-P energy: -21.979
tors. eta vs tors. theta energy: -47.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -564.597452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.597452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.597452 (E_RNA)
where:
Base-Base interactions energy: -373.238
where: short stacking energy: -190.267
Base-Backbone interact. energy: -0.054
local terms energy: -191.305619
where:
bonds (distance) C4'-P energy: -30.165
bonds (distance) P-C4' energy: -39.041
flat angles C4'-P-C4' energy: -39.457
flat angles P-C4'-P energy: -25.675
tors. eta vs tors. theta energy: -56.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -511.651029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.651029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.651029 (E_RNA)
where:
Base-Base interactions energy: -344.639
where: short stacking energy: -148.512
Base-Backbone interact. energy: 0.019
local terms energy: -167.031356
where:
bonds (distance) C4'-P energy: -34.237
bonds (distance) P-C4' energy: -32.337
flat angles C4'-P-C4' energy: -36.141
flat angles P-C4'-P energy: -23.336
tors. eta vs tors. theta energy: -40.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -427.148838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.148838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.148838 (E_RNA)
where:
Base-Base interactions energy: -284.259
where: short stacking energy: -133.145
Base-Backbone interact. energy: 1.329
local terms energy: -144.219106
where:
bonds (distance) C4'-P energy: -28.146
bonds (distance) P-C4' energy: -32.811
flat angles C4'-P-C4' energy: -36.160
flat angles P-C4'-P energy: -22.910
tors. eta vs tors. theta energy: -24.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -421.334242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.334242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.334242 (E_RNA)
where:
Base-Base interactions energy: -266.097
where: short stacking energy: -134.356
Base-Backbone interact. energy: -0.026
local terms energy: -155.211437
where:
bonds (distance) C4'-P energy: -31.620
bonds (distance) P-C4' energy: -35.410
flat angles C4'-P-C4' energy: -31.113
flat angles P-C4'-P energy: -20.393
tors. eta vs tors. theta energy: -36.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -402.974925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.974925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.974925 (E_RNA)
where:
Base-Base interactions energy: -263.368
where: short stacking energy: -114.157
Base-Backbone interact. energy: -0.401
local terms energy: -139.205647
where:
bonds (distance) C4'-P energy: -32.519
bonds (distance) P-C4' energy: -34.469
flat angles C4'-P-C4' energy: -28.576
flat angles P-C4'-P energy: -14.385
tors. eta vs tors. theta energy: -29.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -345.832374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.832374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.832374 (E_RNA)
where:
Base-Base interactions energy: -214.213
where: short stacking energy: -106.275
Base-Backbone interact. energy: -0.319
local terms energy: -131.300612
where:
bonds (distance) C4'-P energy: -30.654
bonds (distance) P-C4' energy: -30.660
flat angles C4'-P-C4' energy: -29.540
flat angles P-C4'-P energy: -19.134
tors. eta vs tors. theta energy: -21.313
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: 3
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -329.057586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.057586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.057586 (E_RNA)
where:
Base-Base interactions energy: -196.912
where: short stacking energy: -101.932
Base-Backbone interact. energy: -0.538
local terms energy: -131.606797
where:
bonds (distance) C4'-P energy: -35.561
bonds (distance) P-C4' energy: -33.782
flat angles C4'-P-C4' energy: -29.272
flat angles P-C4'-P energy: -15.319
tors. eta vs tors. theta energy: -17.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -296.536254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.536254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.536254 (E_RNA)
where:
Base-Base interactions energy: -188.202
where: short stacking energy: -87.645
Base-Backbone interact. energy: -1.308
local terms energy: -107.026384
where:
bonds (distance) C4'-P energy: -19.173
bonds (distance) P-C4' energy: -32.998
flat angles C4'-P-C4' energy: -27.524
flat angles P-C4'-P energy: -22.540
tors. eta vs tors. theta energy: -4.792
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: 7
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -188.915424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.915424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.915424 (E_RNA)
where:
Base-Base interactions energy: -79.375
where: short stacking energy: -61.937
Base-Backbone interact. energy: -0.318
local terms energy: -109.222924
where:
bonds (distance) C4'-P energy: -27.955
bonds (distance) P-C4' energy: -24.841
flat angles C4'-P-C4' energy: -30.793
flat angles P-C4'-P energy: -16.230
tors. eta vs tors. theta energy: -9.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -543.626951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.626951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.626951 (E_RNA)
where:
Base-Base interactions energy: -354.165
where: short stacking energy: -169.463
Base-Backbone interact. energy: -0.229
local terms energy: -189.233251
where:
bonds (distance) C4'-P energy: -38.435
bonds (distance) P-C4' energy: -35.286
flat angles C4'-P-C4' energy: -41.006
flat angles P-C4'-P energy: -28.769
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: 2, replica: 5
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -569.646564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.646564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.646564 (E_RNA)
where:
Base-Base interactions energy: -379.490
where: short stacking energy: -199.750
Base-Backbone interact. energy: -0.057
local terms energy: -190.098626
where:
bonds (distance) C4'-P energy: -34.024
bonds (distance) P-C4' energy: -36.611
flat angles C4'-P-C4' energy: -37.971
flat angles P-C4'-P energy: -28.016
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: 3, replica: 9
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -495.477925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.477925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.477925 (E_RNA)
where:
Base-Base interactions energy: -324.899
where: short stacking energy: -146.978
Base-Backbone interact. energy: 0.640
local terms energy: -171.218304
where:
bonds (distance) C4'-P energy: -30.735
bonds (distance) P-C4' energy: -37.977
flat angles C4'-P-C4' energy: -39.975
flat angles P-C4'-P energy: -25.827
tors. eta vs tors. theta energy: -36.705
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: 2
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -440.724009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.724009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.724009 (E_RNA)
where:
Base-Base interactions energy: -285.350
where: short stacking energy: -158.818
Base-Backbone interact. energy: -1.004
local terms energy: -154.370454
where:
bonds (distance) C4'-P energy: -29.797
bonds (distance) P-C4' energy: -24.038
flat angles C4'-P-C4' energy: -32.899
flat angles P-C4'-P energy: -26.528
tors. eta vs tors. theta energy: -41.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -413.485100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.485100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.485100 (E_RNA)
where:
Base-Base interactions energy: -261.650
where: short stacking energy: -126.762
Base-Backbone interact. energy: -0.201
local terms energy: -151.634153
where:
bonds (distance) C4'-P energy: -33.041
bonds (distance) P-C4' energy: -34.196
flat angles C4'-P-C4' energy: -34.828
flat angles P-C4'-P energy: -21.065
tors. eta vs tors. theta energy: -28.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -359.323903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.323903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.323903 (E_RNA)
where:
Base-Base interactions energy: -222.776
where: short stacking energy: -111.319
Base-Backbone interact. energy: -0.354
local terms energy: -136.193913
where:
bonds (distance) C4'-P energy: -31.042
bonds (distance) P-C4' energy: -21.578
flat angles C4'-P-C4' energy: -31.013
flat angles P-C4'-P energy: -27.159
tors. eta vs tors. theta energy: -25.402
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: 131
Temperature: 1.200000
Total energy: -388.249634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.249634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.249634 (E_RNA)
where:
Base-Base interactions energy: -258.467
where: short stacking energy: -135.911
Base-Backbone interact. energy: -0.714
local terms energy: -129.068062
where:
bonds (distance) C4'-P energy: -25.723
bonds (distance) P-C4' energy: -30.086
flat angles C4'-P-C4' energy: -20.624
flat angles P-C4'-P energy: -21.918
tors. eta vs tors. theta energy: -30.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -312.450510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.450510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.450510 (E_RNA)
where:
Base-Base interactions energy: -179.267
where: short stacking energy: -93.309
Base-Backbone interact. energy: -0.479
local terms energy: -132.704614
where:
bonds (distance) C4'-P energy: -27.671
bonds (distance) P-C4' energy: -30.787
flat angles C4'-P-C4' energy: -34.662
flat angles P-C4'-P energy: -18.445
tors. eta vs tors. theta energy: -21.140
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: 1
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -330.147571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.147571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.147571 (E_RNA)
where:
Base-Base interactions energy: -207.590
where: short stacking energy: -104.860
Base-Backbone interact. energy: -0.803
local terms energy: -121.753999
where:
bonds (distance) C4'-P energy: -32.226
bonds (distance) P-C4' energy: -27.887
flat angles C4'-P-C4' energy: -24.800
flat angles P-C4'-P energy: -20.850
tors. eta vs tors. theta energy: -15.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -191.290829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.290829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.290829 (E_RNA)
where:
Base-Base interactions energy: -89.198
where: short stacking energy: -49.664
Base-Backbone interact. energy: 1.143
local terms energy: -103.236232
where:
bonds (distance) C4'-P energy: -22.319
bonds (distance) P-C4' energy: -31.469
flat angles C4'-P-C4' energy: -32.720
flat angles P-C4'-P energy: -14.348
tors. eta vs tors. theta energy: -2.381
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: 5
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -582.354013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.354013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.354013 (E_RNA)
where:
Base-Base interactions energy: -391.252
where: short stacking energy: -200.311
Base-Backbone interact. energy: -0.200
local terms energy: -190.902414
where:
bonds (distance) C4'-P energy: -31.716
bonds (distance) P-C4' energy: -36.322
flat angles C4'-P-C4' energy: -39.195
flat angles P-C4'-P energy: -24.296
tors. eta vs tors. theta energy: -59.373
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: 6
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -534.674741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.674741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.674741 (E_RNA)
where:
Base-Base interactions energy: -346.838
where: short stacking energy: -158.828
Base-Backbone interact. energy: -1.377
local terms energy: -186.460471
where:
bonds (distance) C4'-P energy: -37.437
bonds (distance) P-C4' energy: -38.074
flat angles C4'-P-C4' energy: -38.168
flat angles P-C4'-P energy: -24.243
tors. eta vs tors. theta energy: -48.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -477.458448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.458448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.458448 (E_RNA)
where:
Base-Base interactions energy: -320.623
where: short stacking energy: -145.655
Base-Backbone interact. energy: 0.518
local terms energy: -157.353655
where:
bonds (distance) C4'-P energy: -30.100
bonds (distance) P-C4' energy: -29.103
flat angles C4'-P-C4' energy: -37.884
flat angles P-C4'-P energy: -26.547
tors. eta vs tors. theta energy: -33.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -458.447719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.447719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.447719 (E_RNA)
where:
Base-Base interactions energy: -295.932
where: short stacking energy: -151.177
Base-Backbone interact. energy: -0.193
local terms energy: -162.322104
where:
bonds (distance) C4'-P energy: -31.851
bonds (distance) P-C4' energy: -33.611
flat angles C4'-P-C4' energy: -36.181
flat angles P-C4'-P energy: -21.470
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: 5, replica: 4
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -414.117795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.117795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.117795 (E_RNA)
where:
Base-Base interactions energy: -262.166
where: short stacking energy: -121.512
Base-Backbone interact. energy: -1.406
local terms energy: -150.545383
where:
bonds (distance) C4'-P energy: -29.059
bonds (distance) P-C4' energy: -33.236
flat angles C4'-P-C4' energy: -32.249
flat angles P-C4'-P energy: -22.603
tors. eta vs tors. theta energy: -33.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -327.318497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.318497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.318497 (E_RNA)
where:
Base-Base interactions energy: -203.297
where: short stacking energy: -99.247
Base-Backbone interact. energy: -1.491
local terms energy: -122.530441
where:
bonds (distance) C4'-P energy: -25.662
bonds (distance) P-C4' energy: -27.078
flat angles C4'-P-C4' energy: -23.863
flat angles P-C4'-P energy: -26.860
tors. eta vs tors. theta energy: -19.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -370.461947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.461947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.461947 (E_RNA)
where:
Base-Base interactions energy: -219.721
where: short stacking energy: -118.224
Base-Backbone interact. energy: -0.942
local terms energy: -149.799409
where:
bonds (distance) C4'-P energy: -23.551
bonds (distance) P-C4' energy: -30.675
flat angles C4'-P-C4' energy: -33.856
flat angles P-C4'-P energy: -26.244
tors. eta vs tors. theta energy: -35.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -333.276488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.276488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.276488 (E_RNA)
where:
Base-Base interactions energy: -202.242
where: short stacking energy: -108.557
Base-Backbone interact. energy: -0.690
local terms energy: -130.344909
where:
bonds (distance) C4'-P energy: -24.526
bonds (distance) P-C4' energy: -33.303
flat angles C4'-P-C4' energy: -35.228
flat angles P-C4'-P energy: -12.514
tors. eta vs tors. theta energy: -24.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -288.489432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.489432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.489432 (E_RNA)
where:
Base-Base interactions energy: -175.901
where: short stacking energy: -84.714
Base-Backbone interact. energy: -0.455
local terms energy: -112.133403
where:
bonds (distance) C4'-P energy: -26.826
bonds (distance) P-C4' energy: -31.708
flat angles C4'-P-C4' energy: -27.040
flat angles P-C4'-P energy: -18.267
tors. eta vs tors. theta energy: -8.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -183.627209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.627209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.627209 (E_RNA)
where:
Base-Base interactions energy: -72.344
where: short stacking energy: -52.430
Base-Backbone interact. energy: -0.863
local terms energy: -110.420802
where:
bonds (distance) C4'-P energy: -29.595
bonds (distance) P-C4' energy: -25.660
flat angles C4'-P-C4' energy: -27.603
flat angles P-C4'-P energy: -18.908
tors. eta vs tors. theta energy: -8.655
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: 1, replica: 5
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -562.124891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.124891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.124891 (E_RNA)
where:
Base-Base interactions energy: -367.680
where: short stacking energy: -179.533
Base-Backbone interact. energy: -0.044
local terms energy: -194.401332
where:
bonds (distance) C4'-P energy: -36.190
bonds (distance) P-C4' energy: -41.365
flat angles C4'-P-C4' energy: -37.036
flat angles P-C4'-P energy: -21.726
tors. eta vs tors. theta energy: -58.085
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: 6
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -541.688781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.688781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.688781 (E_RNA)
where:
Base-Base interactions energy: -365.871
where: short stacking energy: -164.504
Base-Backbone interact. energy: 1.149
local terms energy: -176.966876
where:
bonds (distance) C4'-P energy: -30.875
bonds (distance) P-C4' energy: -33.766
flat angles C4'-P-C4' energy: -40.603
flat angles P-C4'-P energy: -27.987
tors. eta vs tors. theta energy: -43.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -514.793968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.793968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.793968 (E_RNA)
where:
Base-Base interactions energy: -341.536
where: short stacking energy: -143.168
Base-Backbone interact. energy: -0.661
local terms energy: -172.596387
where:
bonds (distance) C4'-P energy: -41.659
bonds (distance) P-C4' energy: -29.681
flat angles C4'-P-C4' energy: -39.345
flat angles P-C4'-P energy: -24.557
tors. eta vs tors. theta energy: -37.354
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: 2
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -466.512432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.512432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.512432 (E_RNA)
where:
Base-Base interactions energy: -311.090
where: short stacking energy: -126.719
Base-Backbone interact. energy: 1.743
local terms energy: -157.165723
where:
bonds (distance) C4'-P energy: -34.354
bonds (distance) P-C4' energy: -35.650
flat angles C4'-P-C4' energy: -33.194
flat angles P-C4'-P energy: -23.517
tors. eta vs tors. theta energy: -30.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -429.942038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.942038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.942038 (E_RNA)
where:
Base-Base interactions energy: -270.542
where: short stacking energy: -134.274
Base-Backbone interact. energy: -0.400
local terms energy: -158.999914
where:
bonds (distance) C4'-P energy: -35.799
bonds (distance) P-C4' energy: -26.325
flat angles C4'-P-C4' energy: -33.834
flat angles P-C4'-P energy: -25.106
tors. eta vs tors. theta energy: -37.935
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: 8
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -379.812435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.812435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.812435 (E_RNA)
where:
Base-Base interactions energy: -220.741
where: short stacking energy: -126.084
Base-Backbone interact. energy: -1.331
local terms energy: -157.739952
where:
bonds (distance) C4'-P energy: -29.233
bonds (distance) P-C4' energy: -35.342
flat angles C4'-P-C4' energy: -33.339
flat angles P-C4'-P energy: -25.618
tors. eta vs tors. theta energy: -34.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -340.212059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.212059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.212059 (E_RNA)
where:
Base-Base interactions energy: -209.855
where: short stacking energy: -99.575
Base-Backbone interact. energy: -0.312
local terms energy: -130.044105
where:
bonds (distance) C4'-P energy: -33.976
bonds (distance) P-C4' energy: -29.396
flat angles C4'-P-C4' energy: -29.225
flat angles P-C4'-P energy: -22.004
tors. eta vs tors. theta energy: -15.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -312.495252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.495252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.495252 (E_RNA)
where:
Base-Base interactions energy: -196.974
where: short stacking energy: -95.498
Base-Backbone interact. energy: -0.520
local terms energy: -115.001764
where:
bonds (distance) C4'-P energy: -29.338
bonds (distance) P-C4' energy: -26.042
flat angles C4'-P-C4' energy: -29.650
flat angles P-C4'-P energy: -16.224
tors. eta vs tors. theta energy: -13.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -302.892346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.892346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.892346 (E_RNA)
where:
Base-Base interactions energy: -183.858
where: short stacking energy: -77.368
Base-Backbone interact. energy: -0.539
local terms energy: -118.495297
where:
bonds (distance) C4'-P energy: -30.667
bonds (distance) P-C4' energy: -28.791
flat angles C4'-P-C4' energy: -37.484
flat angles P-C4'-P energy: -15.470
tors. eta vs tors. theta energy: -6.083
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: 10, replica: 7
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -173.130617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.130617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.130617 (E_RNA)
where:
Base-Base interactions energy: -72.253
where: short stacking energy: -61.584
Base-Backbone interact. energy: -0.891
local terms energy: -99.986477
where:
bonds (distance) C4'-P energy: -28.811
bonds (distance) P-C4' energy: -30.820
flat angles C4'-P-C4' energy: -26.654
flat angles P-C4'-P energy: -15.702
tors. eta vs tors. theta energy: 2.001
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: 5
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -569.972325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.972325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.972325 (E_RNA)
where:
Base-Base interactions energy: -382.613
where: short stacking energy: -193.205
Base-Backbone interact. energy: -0.073
local terms energy: -187.286862
where:
bonds (distance) C4'-P energy: -34.666
bonds (distance) P-C4' energy: -30.953
flat angles C4'-P-C4' energy: -39.167
flat angles P-C4'-P energy: -25.143
tors. eta vs tors. theta energy: -57.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -528.250142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.250142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.250142 (E_RNA)
where:
Base-Base interactions energy: -354.328
where: short stacking energy: -176.121
Base-Backbone interact. energy: 1.127
local terms energy: -175.049816
where:
bonds (distance) C4'-P energy: -25.381
bonds (distance) P-C4' energy: -37.141
flat angles C4'-P-C4' energy: -38.314
flat angles P-C4'-P energy: -28.499
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: 3, replica: 9
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -487.746579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.746579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.746579 (E_RNA)
where:
Base-Base interactions energy: -336.014
where: short stacking energy: -128.229
Base-Backbone interact. energy: -0.809
local terms energy: -150.922956
where:
bonds (distance) C4'-P energy: -29.799
bonds (distance) P-C4' energy: -37.279
flat angles C4'-P-C4' energy: -27.840
flat angles P-C4'-P energy: -24.436
tors. eta vs tors. theta energy: -31.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -415.721402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.721402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.721402 (E_RNA)
where:
Base-Base interactions energy: -263.650
where: short stacking energy: -135.008
Base-Backbone interact. energy: -0.519
local terms energy: -151.552088
where:
bonds (distance) C4'-P energy: -35.787
bonds (distance) P-C4' energy: -33.141
flat angles C4'-P-C4' energy: -31.263
flat angles P-C4'-P energy: -20.973
tors. eta vs tors. theta energy: -30.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -440.535369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.535369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.535369 (E_RNA)
where:
Base-Base interactions energy: -279.832
where: short stacking energy: -137.034
Base-Backbone interact. energy: -0.293
local terms energy: -160.410703
where:
bonds (distance) C4'-P energy: -30.956
bonds (distance) P-C4' energy: -39.908
flat angles C4'-P-C4' energy: -32.288
flat angles P-C4'-P energy: -22.401
tors. eta vs tors. theta energy: -34.858
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: 8
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -375.372060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.372060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.372060 (E_RNA)
where:
Base-Base interactions energy: -236.779
where: short stacking energy: -134.895
Base-Backbone interact. energy: -0.337
local terms energy: -138.255349
where:
bonds (distance) C4'-P energy: -24.350
bonds (distance) P-C4' energy: -27.813
flat angles C4'-P-C4' energy: -32.421
flat angles P-C4'-P energy: -21.928
tors. eta vs tors. theta energy: -31.743
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: 7, replica: 1
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -335.675734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.675734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.675734 (E_RNA)
where:
Base-Base interactions energy: -203.129
where: short stacking energy: -103.816
Base-Backbone interact. energy: -1.051
local terms energy: -131.496482
where:
bonds (distance) C4'-P energy: -25.547
bonds (distance) P-C4' energy: -33.397
flat angles C4'-P-C4' energy: -36.090
flat angles P-C4'-P energy: -16.512
tors. eta vs tors. theta energy: -19.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -314.848321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.848321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.848321 (E_RNA)
where:
Base-Base interactions energy: -184.453
where: short stacking energy: -86.841
Base-Backbone interact. energy: -0.986
local terms energy: -129.410062
where:
bonds (distance) C4'-P energy: -32.730
bonds (distance) P-C4' energy: -36.692
flat angles C4'-P-C4' energy: -34.865
flat angles P-C4'-P energy: -10.347
tors. eta vs tors. theta energy: -14.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -301.323597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.323597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.323597 (E_RNA)
where:
Base-Base interactions energy: -176.695
where: short stacking energy: -80.245
Base-Backbone interact. energy: -0.275
local terms energy: -124.354327
where:
bonds (distance) C4'-P energy: -32.806
bonds (distance) P-C4' energy: -24.254
flat angles C4'-P-C4' energy: -31.684
flat angles P-C4'-P energy: -24.499
tors. eta vs tors. theta energy: -11.112
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: 10, replica: 7
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -223.882703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.882703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.882703 (E_RNA)
where:
Base-Base interactions energy: -110.934
where: short stacking energy: -67.259
Base-Backbone interact. energy: -0.117
local terms energy: -112.831615
where:
bonds (distance) C4'-P energy: -33.159
bonds (distance) P-C4' energy: -35.697
flat angles C4'-P-C4' energy: -24.997
flat angles P-C4'-P energy: -17.210
tors. eta vs tors. theta energy: -1.768
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: 5
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -550.727346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.727346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.727346 (E_RNA)
where:
Base-Base interactions energy: -363.512
where: short stacking energy: -192.347
Base-Backbone interact. energy: -0.043
local terms energy: -187.172349
where:
bonds (distance) C4'-P energy: -29.874
bonds (distance) P-C4' energy: -37.371
flat angles C4'-P-C4' energy: -37.297
flat angles P-C4'-P energy: -27.416
tors. eta vs tors. theta energy: -55.214
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: 135
Temperature: 0.950000
Total energy: -523.719408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.719408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.719408 (E_RNA)
where:
Base-Base interactions energy: -368.410
where: short stacking energy: -153.224
Base-Backbone interact. energy: -0.526
local terms energy: -154.783569
where:
bonds (distance) C4'-P energy: -32.815
bonds (distance) P-C4' energy: -30.680
flat angles C4'-P-C4' energy: -35.219
flat angles P-C4'-P energy: -22.332
tors. eta vs tors. theta energy: -33.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -515.665966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.665966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.665966 (E_RNA)
where:
Base-Base interactions energy: -347.537
where: short stacking energy: -163.758
Base-Backbone interact. energy: -0.836
local terms energy: -167.293287
where:
bonds (distance) C4'-P energy: -34.245
bonds (distance) P-C4' energy: -31.431
flat angles C4'-P-C4' energy: -35.625
flat angles P-C4'-P energy: -26.567
tors. eta vs tors. theta energy: -39.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -426.217297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.217297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.217297 (E_RNA)
where:
Base-Base interactions energy: -273.885
where: short stacking energy: -127.404
Base-Backbone interact. energy: -0.345
local terms energy: -151.987487
where:
bonds (distance) C4'-P energy: -31.549
bonds (distance) P-C4' energy: -36.988
flat angles C4'-P-C4' energy: -36.112
flat angles P-C4'-P energy: -18.541
tors. eta vs tors. theta energy: -28.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -437.591735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.591735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.591735 (E_RNA)
where:
Base-Base interactions energy: -292.227
where: short stacking energy: -126.085
Base-Backbone interact. energy: -1.009
local terms energy: -144.355393
where:
bonds (distance) C4'-P energy: -32.160
bonds (distance) P-C4' energy: -27.369
flat angles C4'-P-C4' energy: -34.510
flat angles P-C4'-P energy: -19.938
tors. eta vs tors. theta energy: -30.379
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: 1
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -350.199701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.199701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.199701 (E_RNA)
where:
Base-Base interactions energy: -217.222
where: short stacking energy: -112.343
Base-Backbone interact. energy: -0.444
local terms energy: -132.534406
where:
bonds (distance) C4'-P energy: -32.295
bonds (distance) P-C4' energy: -33.590
flat angles C4'-P-C4' energy: -25.536
flat angles P-C4'-P energy: -20.967
tors. eta vs tors. theta energy: -20.146
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: 8
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -341.030202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.030202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.030202 (E_RNA)
where:
Base-Base interactions energy: -206.661
where: short stacking energy: -110.643
Base-Backbone interact. energy: -0.327
local terms energy: -134.041835
where:
bonds (distance) C4'-P energy: -24.161
bonds (distance) P-C4' energy: -33.039
flat angles C4'-P-C4' energy: -31.763
flat angles P-C4'-P energy: -19.776
tors. eta vs tors. theta energy: -25.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -314.254996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.254996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.254996 (E_RNA)
where:
Base-Base interactions energy: -191.202
where: short stacking energy: -98.721
Base-Backbone interact. energy: -0.535
local terms energy: -122.517304
where:
bonds (distance) C4'-P energy: -30.051
bonds (distance) P-C4' energy: -33.727
flat angles C4'-P-C4' energy: -25.075
flat angles P-C4'-P energy: -14.068
tors. eta vs tors. theta energy: -19.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -311.857363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.857363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.857363 (E_RNA)
where:
Base-Base interactions energy: -189.418
where: short stacking energy: -89.743
Base-Backbone interact. energy: -1.001
local terms energy: -121.438160
where:
bonds (distance) C4'-P energy: -24.636
bonds (distance) P-C4' energy: -37.415
flat angles C4'-P-C4' energy: -27.123
flat angles P-C4'-P energy: -18.241
tors. eta vs tors. theta energy: -14.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -216.760547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.760547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.760547 (E_RNA)
where:
Base-Base interactions energy: -94.830
where: short stacking energy: -61.386
Base-Backbone interact. energy: -0.444
local terms energy: -121.486448
where:
bonds (distance) C4'-P energy: -30.901
bonds (distance) P-C4' energy: -39.890
flat angles C4'-P-C4' energy: -29.954
flat angles P-C4'-P energy: -13.472
tors. eta vs tors. theta energy: -7.269
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: 5
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -565.178196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.178196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.178196 (E_RNA)
where:
Base-Base interactions energy: -372.247
where: short stacking energy: -205.410
Base-Backbone interact. energy: 0.778
local terms energy: -193.709029
where:
bonds (distance) C4'-P energy: -34.852
bonds (distance) P-C4' energy: -38.142
flat angles C4'-P-C4' energy: -39.947
flat angles P-C4'-P energy: -22.739
tors. eta vs tors. theta energy: -58.029
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: 9
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -519.511086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.511086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.511086 (E_RNA)
where:
Base-Base interactions energy: -360.683
where: short stacking energy: -161.504
Base-Backbone interact. energy: -0.738
local terms energy: -158.090137
where:
bonds (distance) C4'-P energy: -28.920
bonds (distance) P-C4' energy: -29.949
flat angles C4'-P-C4' energy: -35.837
flat angles P-C4'-P energy: -24.729
tors. eta vs tors. theta energy: -38.655
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: 6
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -510.345101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.345101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.345101 (E_RNA)
where:
Base-Base interactions energy: -351.884
where: short stacking energy: -163.817
Base-Backbone interact. energy: -0.719
local terms energy: -157.742378
where:
bonds (distance) C4'-P energy: -29.563
bonds (distance) P-C4' energy: -31.945
flat angles C4'-P-C4' energy: -31.201
flat angles P-C4'-P energy: -27.144
tors. eta vs tors. theta energy: -37.889
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: 4, replica: 4
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -424.679803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.679803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.679803 (E_RNA)
where:
Base-Base interactions energy: -277.079
where: short stacking energy: -123.916
Base-Backbone interact. energy: -0.163
local terms energy: -147.437853
where:
bonds (distance) C4'-P energy: -37.854
bonds (distance) P-C4' energy: -38.307
flat angles C4'-P-C4' energy: -29.173
flat angles P-C4'-P energy: -14.437
tors. eta vs tors. theta energy: -27.667
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: 2
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -436.416445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.416445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.416445 (E_RNA)
where:
Base-Base interactions energy: -294.333
where: short stacking energy: -118.044
Base-Backbone interact. energy: 0.006
local terms energy: -142.089444
where:
bonds (distance) C4'-P energy: -30.466
bonds (distance) P-C4' energy: -35.092
flat angles C4'-P-C4' energy: -33.510
flat angles P-C4'-P energy: -16.983
tors. eta vs tors. theta energy: -26.038
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: 1
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -359.290782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.290782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.290782 (E_RNA)
where:
Base-Base interactions energy: -222.851
where: short stacking energy: -114.037
Base-Backbone interact. energy: -0.698
local terms energy: -135.742209
where:
bonds (distance) C4'-P energy: -31.586
bonds (distance) P-C4' energy: -27.658
flat angles C4'-P-C4' energy: -31.167
flat angles P-C4'-P energy: -20.759
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: 7, replica: 3
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -336.238063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.238063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.238063 (E_RNA)
where:
Base-Base interactions energy: -201.629
where: short stacking energy: -105.178
Base-Backbone interact. energy: -0.244
local terms energy: -134.364962
where:
bonds (distance) C4'-P energy: -29.084
bonds (distance) P-C4' energy: -32.821
flat angles C4'-P-C4' energy: -25.784
flat angles P-C4'-P energy: -19.280
tors. eta vs tors. theta energy: -27.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -312.039108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.039108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.039108 (E_RNA)
where:
Base-Base interactions energy: -192.854
where: short stacking energy: -101.495
Base-Backbone interact. energy: -0.366
local terms energy: -118.819669
where:
bonds (distance) C4'-P energy: -28.180
bonds (distance) P-C4' energy: -33.952
flat angles C4'-P-C4' energy: -27.974
flat angles P-C4'-P energy: -12.680
tors. eta vs tors. theta energy: -16.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -288.243556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.243556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.243556 (E_RNA)
where:
Base-Base interactions energy: -188.886
where: short stacking energy: -82.395
Base-Backbone interact. energy: -0.424
local terms energy: -98.934072
where:
bonds (distance) C4'-P energy: -37.292
bonds (distance) P-C4' energy: -21.934
flat angles C4'-P-C4' energy: -17.818
flat angles P-C4'-P energy: -16.250
tors. eta vs tors. theta energy: -5.641
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: 136
Temperature: 1.350000
Total energy: -229.124801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.124801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.124801 (E_RNA)
where:
Base-Base interactions energy: -118.162
where: short stacking energy: -67.596
Base-Backbone interact. energy: 0.841
local terms energy: -111.803332
where:
bonds (distance) C4'-P energy: -25.776
bonds (distance) P-C4' energy: -30.151
flat angles C4'-P-C4' energy: -24.320
flat angles P-C4'-P energy: -23.994
tors. eta vs tors. theta energy: -7.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -559.720274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.720274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.720274 (E_RNA)
where:
Base-Base interactions energy: -374.033
where: short stacking energy: -190.686
Base-Backbone interact. energy: -0.013
local terms energy: -185.673555
where:
bonds (distance) C4'-P energy: -33.811
bonds (distance) P-C4' energy: -38.775
flat angles C4'-P-C4' energy: -36.609
flat angles P-C4'-P energy: -27.010
tors. eta vs tors. theta energy: -49.469
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: 9
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -516.062179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.062179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.062179 (E_RNA)
where:
Base-Base interactions energy: -358.115
where: short stacking energy: -148.900
Base-Backbone interact. energy: -0.870
local terms energy: -157.077829
where:
bonds (distance) C4'-P energy: -31.616
bonds (distance) P-C4' energy: -32.861
flat angles C4'-P-C4' energy: -34.835
flat angles P-C4'-P energy: -19.011
tors. eta vs tors. theta energy: -38.755
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: 6
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -508.917786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.917786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.917786 (E_RNA)
where:
Base-Base interactions energy: -362.043
where: short stacking energy: -155.260
Base-Backbone interact. energy: 3.026
local terms energy: -149.901049
where:
bonds (distance) C4'-P energy: -34.478
bonds (distance) P-C4' energy: -31.344
flat angles C4'-P-C4' energy: -31.337
flat angles P-C4'-P energy: -24.672
tors. eta vs tors. theta energy: -28.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -453.969270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.969270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.969270 (E_RNA)
where:
Base-Base interactions energy: -307.234
where: short stacking energy: -140.817
Base-Backbone interact. energy: -0.680
local terms energy: -146.055343
where:
bonds (distance) C4'-P energy: -32.975
bonds (distance) P-C4' energy: -33.670
flat angles C4'-P-C4' energy: -32.348
flat angles P-C4'-P energy: -17.166
tors. eta vs tors. theta energy: -29.896
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: 5, replica: 4
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -406.547424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.547424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.547424 (E_RNA)
where:
Base-Base interactions energy: -264.167
where: short stacking energy: -124.609
Base-Backbone interact. energy: -0.106
local terms energy: -142.274995
where:
bonds (distance) C4'-P energy: -33.202
bonds (distance) P-C4' energy: -31.315
flat angles C4'-P-C4' energy: -29.746
flat angles P-C4'-P energy: -21.163
tors. eta vs tors. theta energy: -26.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -364.103805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.103805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.103805 (E_RNA)
where:
Base-Base interactions energy: -216.095
where: short stacking energy: -115.437
Base-Backbone interact. energy: 1.452
local terms energy: -149.460625
where:
bonds (distance) C4'-P energy: -29.575
bonds (distance) P-C4' energy: -30.286
flat angles C4'-P-C4' energy: -31.038
flat angles P-C4'-P energy: -26.042
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: 7, replica: 3
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -318.023876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.023876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.023876 (E_RNA)
where:
Base-Base interactions energy: -189.229
where: short stacking energy: -107.651
Base-Backbone interact. energy: -0.100
local terms energy: -128.695512
where:
bonds (distance) C4'-P energy: -38.183
bonds (distance) P-C4' energy: -28.807
flat angles C4'-P-C4' energy: -30.405
flat angles P-C4'-P energy: -10.312
tors. eta vs tors. theta energy: -20.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -300.173677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.173677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.173677 (E_RNA)
where:
Base-Base interactions energy: -184.464
where: short stacking energy: -90.701
Base-Backbone interact. energy: -0.256
local terms energy: -115.453049
where:
bonds (distance) C4'-P energy: -22.154
bonds (distance) P-C4' energy: -31.556
flat angles C4'-P-C4' energy: -28.357
flat angles P-C4'-P energy: -18.162
tors. eta vs tors. theta energy: -15.225
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: 137
Temperature: 1.300000
Total energy: -279.960691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.960691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.960691 (E_RNA)
where:
Base-Base interactions energy: -164.493
where: short stacking energy: -77.981
Base-Backbone interact. energy: 1.779
local terms energy: -117.245922
where:
bonds (distance) C4'-P energy: -24.868
bonds (distance) P-C4' energy: -31.744
flat angles C4'-P-C4' energy: -29.643
flat angles P-C4'-P energy: -20.725
tors. eta vs tors. theta energy: -10.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -226.300971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.300971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.300971 (E_RNA)
where:
Base-Base interactions energy: -123.275
where: short stacking energy: -79.738
Base-Backbone interact. energy: -0.835
local terms energy: -102.191107
where:
bonds (distance) C4'-P energy: -26.548
bonds (distance) P-C4' energy: -30.002
flat angles C4'-P-C4' energy: -20.653
flat angles P-C4'-P energy: -16.749
tors. eta vs tors. theta energy: -8.239
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: 5
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -558.110292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.110292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.110292 (E_RNA)
where:
Base-Base interactions energy: -372.862
where: short stacking energy: -191.669
Base-Backbone interact. energy: -0.043
local terms energy: -185.204976
where:
bonds (distance) C4'-P energy: -32.918
bonds (distance) P-C4' energy: -35.955
flat angles C4'-P-C4' energy: -39.219
flat angles P-C4'-P energy: -22.308
tors. eta vs tors. theta energy: -54.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -511.950066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.950066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.950066 (E_RNA)
where:
Base-Base interactions energy: -339.685
where: short stacking energy: -154.668
Base-Backbone interact. energy: -0.354
local terms energy: -171.911301
where:
bonds (distance) C4'-P energy: -37.019
bonds (distance) P-C4' energy: -38.519
flat angles C4'-P-C4' energy: -37.121
flat angles P-C4'-P energy: -20.267
tors. eta vs tors. theta energy: -38.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -510.038660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.038660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.038660 (E_RNA)
where:
Base-Base interactions energy: -346.768
where: short stacking energy: -152.117
Base-Backbone interact. energy: -0.634
local terms energy: -162.637243
where:
bonds (distance) C4'-P energy: -35.843
bonds (distance) P-C4' energy: -33.335
flat angles C4'-P-C4' energy: -39.068
flat angles P-C4'-P energy: -21.684
tors. eta vs tors. theta energy: -32.707
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: 2
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -441.838427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.838427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.838427 (E_RNA)
where:
Base-Base interactions energy: -284.981
where: short stacking energy: -121.964
Base-Backbone interact. energy: -0.994
local terms energy: -155.863267
where:
bonds (distance) C4'-P energy: -36.597
bonds (distance) P-C4' energy: -34.797
flat angles C4'-P-C4' energy: -34.987
flat angles P-C4'-P energy: -24.222
tors. eta vs tors. theta energy: -25.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -415.146431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.146431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.146431 (E_RNA)
where:
Base-Base interactions energy: -278.035
where: short stacking energy: -121.139
Base-Backbone interact. energy: 1.042
local terms energy: -138.153402
where:
bonds (distance) C4'-P energy: -23.218
bonds (distance) P-C4' energy: -34.676
flat angles C4'-P-C4' energy: -33.333
flat angles P-C4'-P energy: -17.610
tors. eta vs tors. theta energy: -29.317
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: 1
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -336.419738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.419738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.419738 (E_RNA)
where:
Base-Base interactions energy: -206.868
where: short stacking energy: -117.224
Base-Backbone interact. energy: -1.282
local terms energy: -128.269102
where:
bonds (distance) C4'-P energy: -28.971
bonds (distance) P-C4' energy: -34.325
flat angles C4'-P-C4' energy: -26.927
flat angles P-C4'-P energy: -14.343
tors. eta vs tors. theta energy: -23.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -356.928912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.928912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.928912 (E_RNA)
where:
Base-Base interactions energy: -230.526
where: short stacking energy: -114.977
Base-Backbone interact. energy: -0.602
local terms energy: -125.800686
where:
bonds (distance) C4'-P energy: -30.558
bonds (distance) P-C4' energy: -32.243
flat angles C4'-P-C4' energy: -33.255
flat angles P-C4'-P energy: -11.339
tors. eta vs tors. theta energy: -18.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -317.784640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.784640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.784640 (E_RNA)
where:
Base-Base interactions energy: -186.182
where: short stacking energy: -89.342
Base-Backbone interact. energy: -0.082
local terms energy: -131.520761
where:
bonds (distance) C4'-P energy: -23.347
bonds (distance) P-C4' energy: -37.961
flat angles C4'-P-C4' energy: -35.275
flat angles P-C4'-P energy: -24.274
tors. eta vs tors. theta energy: -10.664
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: 138
Temperature: 1.300000
Total energy: -314.156736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.156736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.156736 (E_RNA)
where:
Base-Base interactions energy: -190.071
where: short stacking energy: -97.741
Base-Backbone interact. energy: -1.063
local terms energy: -123.022640
where:
bonds (distance) C4'-P energy: -28.089
bonds (distance) P-C4' energy: -32.714
flat angles C4'-P-C4' energy: -29.558
flat angles P-C4'-P energy: -9.973
tors. eta vs tors. theta energy: -22.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -229.398324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.398324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.398324 (E_RNA)
where:
Base-Base interactions energy: -123.651
where: short stacking energy: -78.795
Base-Backbone interact. energy: -0.385
local terms energy: -105.363028
where:
bonds (distance) C4'-P energy: -24.851
bonds (distance) P-C4' energy: -26.350
flat angles C4'-P-C4' energy: -26.238
flat angles P-C4'-P energy: -17.968
tors. eta vs tors. theta energy: -9.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -544.438684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.438684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.438684 (E_RNA)
where:
Base-Base interactions energy: -355.146
where: short stacking energy: -185.534
Base-Backbone interact. energy: -0.597
local terms energy: -188.696031
where:
bonds (distance) C4'-P energy: -30.733
bonds (distance) P-C4' energy: -39.975
flat angles C4'-P-C4' energy: -36.803
flat angles P-C4'-P energy: -30.609
tors. eta vs tors. theta energy: -50.576
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: 6
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -511.408870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.408870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.408870 (E_RNA)
where:
Base-Base interactions energy: -346.541
where: short stacking energy: -146.542
Base-Backbone interact. energy: -1.078
local terms energy: -163.789912
where:
bonds (distance) C4'-P energy: -35.180
bonds (distance) P-C4' energy: -36.623
flat angles C4'-P-C4' energy: -37.343
flat angles P-C4'-P energy: -25.368
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: 3, replica: 9
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -494.742796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.742796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.742796 (E_RNA)
where:
Base-Base interactions energy: -330.992
where: short stacking energy: -142.985
Base-Backbone interact. energy: -1.442
local terms energy: -162.309120
where:
bonds (distance) C4'-P energy: -34.113
bonds (distance) P-C4' energy: -33.798
flat angles C4'-P-C4' energy: -32.870
flat angles P-C4'-P energy: -25.011
tors. eta vs tors. theta energy: -36.518
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: 4
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -434.133389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.133389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.133389 (E_RNA)
where:
Base-Base interactions energy: -265.176
where: short stacking energy: -132.894
Base-Backbone interact. energy: 4.303
local terms energy: -173.260487
where:
bonds (distance) C4'-P energy: -36.320
bonds (distance) P-C4' energy: -32.209
flat angles C4'-P-C4' energy: -40.495
flat angles P-C4'-P energy: -28.442
tors. eta vs tors. theta energy: -35.796
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: 2
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -427.489015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.489015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.489015 (E_RNA)
where:
Base-Base interactions energy: -283.545
where: short stacking energy: -124.787
Base-Backbone interact. energy: -0.897
local terms energy: -143.047470
where:
bonds (distance) C4'-P energy: -32.370
bonds (distance) P-C4' energy: -37.692
flat angles C4'-P-C4' energy: -39.112
flat angles P-C4'-P energy: -6.384
tors. eta vs tors. theta energy: -27.490
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: 6, replica: 8
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -354.243255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.243255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.243255 (E_RNA)
where:
Base-Base interactions energy: -222.272
where: short stacking energy: -106.430
Base-Backbone interact. energy: -0.302
local terms energy: -131.669314
where:
bonds (distance) C4'-P energy: -29.318
bonds (distance) P-C4' energy: -31.594
flat angles C4'-P-C4' energy: -27.170
flat angles P-C4'-P energy: -19.645
tors. eta vs tors. theta energy: -23.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -317.095039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.095039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.095039 (E_RNA)
where:
Base-Base interactions energy: -196.655
where: short stacking energy: -91.829
Base-Backbone interact. energy: -0.867
local terms energy: -119.572933
where:
bonds (distance) C4'-P energy: -21.301
bonds (distance) P-C4' energy: -30.191
flat angles C4'-P-C4' energy: -31.848
flat angles P-C4'-P energy: -16.543
tors. eta vs tors. theta energy: -19.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -306.724828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.724828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.724828 (E_RNA)
where:
Base-Base interactions energy: -190.492
where: short stacking energy: -90.953
Base-Backbone interact. energy: -0.618
local terms energy: -115.614729
where:
bonds (distance) C4'-P energy: -32.044
bonds (distance) P-C4' energy: -35.741
flat angles C4'-P-C4' energy: -28.336
flat angles P-C4'-P energy: -13.425
tors. eta vs tors. theta energy: -6.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -283.214003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.214003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.214003 (E_RNA)
where:
Base-Base interactions energy: -173.576
where: short stacking energy: -79.966
Base-Backbone interact. energy: -0.840
local terms energy: -108.797925
where:
bonds (distance) C4'-P energy: -30.139
bonds (distance) P-C4' energy: -34.853
flat angles C4'-P-C4' energy: -23.747
flat angles P-C4'-P energy: -11.188
tors. eta vs tors. theta energy: -8.871
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: 139
Temperature: 1.350000
Total energy: -228.961868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.961868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.961868 (E_RNA)
where:
Base-Base interactions energy: -116.942
where: short stacking energy: -75.815
Base-Backbone interact. energy: -0.276
local terms energy: -111.743603
where:
bonds (distance) C4'-P energy: -29.445
bonds (distance) P-C4' energy: -26.616
flat angles C4'-P-C4' energy: -24.867
flat angles P-C4'-P energy: -16.061
tors. eta vs tors. theta energy: -14.755
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: 5
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -544.586662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.586662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.586662 (E_RNA)
where:
Base-Base interactions energy: -361.975
where: short stacking energy: -191.578
Base-Backbone interact. energy: -0.007
local terms energy: -182.604644
where:
bonds (distance) C4'-P energy: -34.034
bonds (distance) P-C4' energy: -37.187
flat angles C4'-P-C4' energy: -32.236
flat angles P-C4'-P energy: -27.145
tors. eta vs tors. theta energy: -52.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -526.155378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.155378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.155378 (E_RNA)
where:
Base-Base interactions energy: -361.867
where: short stacking energy: -149.349
Base-Backbone interact. energy: -0.977
local terms energy: -163.311416
where:
bonds (distance) C4'-P energy: -31.600
bonds (distance) P-C4' energy: -30.114
flat angles C4'-P-C4' energy: -36.794
flat angles P-C4'-P energy: -25.123
tors. eta vs tors. theta energy: -39.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -514.660163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.660163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.660163 (E_RNA)
where:
Base-Base interactions energy: -344.560
where: short stacking energy: -151.026
Base-Backbone interact. energy: 0.998
local terms energy: -171.098321
where:
bonds (distance) C4'-P energy: -36.816
bonds (distance) P-C4' energy: -28.849
flat angles C4'-P-C4' energy: -36.821
flat angles P-C4'-P energy: -25.051
tors. eta vs tors. theta energy: -43.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -443.661502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.661502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.661502 (E_RNA)
where:
Base-Base interactions energy: -288.637
where: short stacking energy: -133.123
Base-Backbone interact. energy: -1.130
local terms energy: -153.894135
where:
bonds (distance) C4'-P energy: -31.859
bonds (distance) P-C4' energy: -36.934
flat angles C4'-P-C4' energy: -36.222
flat angles P-C4'-P energy: -19.625
tors. eta vs tors. theta energy: -29.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -448.043605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.043605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.043605 (E_RNA)
where:
Base-Base interactions energy: -287.635
where: short stacking energy: -127.189
Base-Backbone interact. energy: -0.709
local terms energy: -159.699802
where:
bonds (distance) C4'-P energy: -32.556
bonds (distance) P-C4' energy: -42.966
flat angles C4'-P-C4' energy: -30.138
flat angles P-C4'-P energy: -25.557
tors. eta vs tors. theta energy: -28.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -343.654574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.654574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.654574 (E_RNA)
where:
Base-Base interactions energy: -203.718
where: short stacking energy: -111.139
Base-Backbone interact. energy: -0.125
local terms energy: -139.811868
where:
bonds (distance) C4'-P energy: -30.212
bonds (distance) P-C4' energy: -31.461
flat angles C4'-P-C4' energy: -33.361
flat angles P-C4'-P energy: -19.109
tors. eta vs tors. theta energy: -25.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -347.798592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.798592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.798592 (E_RNA)
where:
Base-Base interactions energy: -200.725
where: short stacking energy: -118.470
Base-Backbone interact. energy: -1.112
local terms energy: -145.961194
where:
bonds (distance) C4'-P energy: -31.100
bonds (distance) P-C4' energy: -36.779
flat angles C4'-P-C4' energy: -33.766
flat angles P-C4'-P energy: -16.957
tors. eta vs tors. theta energy: -27.359
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: 1
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -318.941092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.941092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.941092 (E_RNA)
where:
Base-Base interactions energy: -199.180
where: short stacking energy: -81.652
Base-Backbone interact. energy: -1.231
local terms energy: -118.530947
where:
bonds (distance) C4'-P energy: -23.798
bonds (distance) P-C4' energy: -31.074
flat angles C4'-P-C4' energy: -24.961
flat angles P-C4'-P energy: -13.066
tors. eta vs tors. theta energy: -25.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -302.514849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.514849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.514849 (E_RNA)
where:
Base-Base interactions energy: -179.608
where: short stacking energy: -81.139
Base-Backbone interact. energy: -0.045
local terms energy: -122.862173
where:
bonds (distance) C4'-P energy: -34.488
bonds (distance) P-C4' energy: -29.315
flat angles C4'-P-C4' energy: -27.563
flat angles P-C4'-P energy: -24.494
tors. eta vs tors. theta energy: -7.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -217.990799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.990799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.990799 (E_RNA)
where:
Base-Base interactions energy: -114.593
where: short stacking energy: -69.744
Base-Backbone interact. energy: 1.583
local terms energy: -104.980966
where:
bonds (distance) C4'-P energy: -25.636
bonds (distance) P-C4' energy: -23.616
flat angles C4'-P-C4' energy: -34.739
flat angles P-C4'-P energy: -15.619
tors. eta vs tors. theta energy: -5.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -552.648675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.648675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.648675 (E_RNA)
where:
Base-Base interactions energy: -368.483
where: short stacking energy: -185.123
Base-Backbone interact. energy: -0.843
local terms energy: -183.322823
where:
bonds (distance) C4'-P energy: -36.455
bonds (distance) P-C4' energy: -32.975
flat angles C4'-P-C4' energy: -35.691
flat angles P-C4'-P energy: -23.260
tors. eta vs tors. theta energy: -54.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -534.325702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.325702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.325702 (E_RNA)
where:
Base-Base interactions energy: -375.743
where: short stacking energy: -162.538
Base-Backbone interact. energy: -0.542
local terms energy: -158.040891
where:
bonds (distance) C4'-P energy: -26.983
bonds (distance) P-C4' energy: -32.460
flat angles C4'-P-C4' energy: -40.374
flat angles P-C4'-P energy: -19.614
tors. eta vs tors. theta energy: -38.610
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: 9
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -494.303623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.303623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.303623 (E_RNA)
where:
Base-Base interactions energy: -333.967
where: short stacking energy: -152.367
Base-Backbone interact. energy: 0.002
local terms energy: -160.338064
where:
bonds (distance) C4'-P energy: -30.341
bonds (distance) P-C4' energy: -34.038
flat angles C4'-P-C4' energy: -36.550
flat angles P-C4'-P energy: -18.122
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: 4, replica: 2
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -412.142681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.142681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.142681 (E_RNA)
where:
Base-Base interactions energy: -254.765
where: short stacking energy: -123.638
Base-Backbone interact. energy: 0.155
local terms energy: -157.533074
where:
bonds (distance) C4'-P energy: -27.669
bonds (distance) P-C4' energy: -34.305
flat angles C4'-P-C4' energy: -34.998
flat angles P-C4'-P energy: -29.592
tors. eta vs tors. theta energy: -30.968
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: 4
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -415.852819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.852819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.852819 (E_RNA)
where:
Base-Base interactions energy: -270.445
where: short stacking energy: -127.412
Base-Backbone interact. energy: -0.823
local terms energy: -144.584818
where:
bonds (distance) C4'-P energy: -34.462
bonds (distance) P-C4' energy: -31.420
flat angles C4'-P-C4' energy: -38.419
flat angles P-C4'-P energy: -12.906
tors. eta vs tors. theta energy: -27.377
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: 10
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -358.821229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.821229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.821229 (E_RNA)
where:
Base-Base interactions energy: -221.254
where: short stacking energy: -106.256
Base-Backbone interact. energy: -0.152
local terms energy: -137.415031
where:
bonds (distance) C4'-P energy: -28.405
bonds (distance) P-C4' energy: -29.196
flat angles C4'-P-C4' energy: -34.005
flat angles P-C4'-P energy: -20.678
tors. eta vs tors. theta energy: -25.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -334.229686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.229686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.229686 (E_RNA)
where:
Base-Base interactions energy: -200.134
where: short stacking energy: -111.640
Base-Backbone interact. energy: -0.790
local terms energy: -133.305126
where:
bonds (distance) C4'-P energy: -26.954
bonds (distance) P-C4' energy: -28.475
flat angles C4'-P-C4' energy: -31.395
flat angles P-C4'-P energy: -23.528
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: 8, replica: 3
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -318.231375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.231375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.231375 (E_RNA)
where:
Base-Base interactions energy: -200.648
where: short stacking energy: -100.431
Base-Backbone interact. energy: -0.930
local terms energy: -116.653673
where:
bonds (distance) C4'-P energy: -21.151
bonds (distance) P-C4' energy: -32.813
flat angles C4'-P-C4' energy: -27.671
flat angles P-C4'-P energy: -17.380
tors. eta vs tors. theta energy: -17.638
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: 9, replica: 1
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -292.131600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.131600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.131600 (E_RNA)
where:
Base-Base interactions energy: -176.420
where: short stacking energy: -78.477
Base-Backbone interact. energy: -0.357
local terms energy: -115.355042
where:
bonds (distance) C4'-P energy: -37.980
bonds (distance) P-C4' energy: -21.009
flat angles C4'-P-C4' energy: -21.513
flat angles P-C4'-P energy: -15.697
tors. eta vs tors. theta energy: -19.156
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: 7
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -205.036361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.036361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.036361 (E_RNA)
where:
Base-Base interactions energy: -108.762
where: short stacking energy: -54.760
Base-Backbone interact. energy: -0.707
local terms energy: -95.567682
where:
bonds (distance) C4'-P energy: -21.284
bonds (distance) P-C4' energy: -21.612
flat angles C4'-P-C4' energy: -35.940
flat angles P-C4'-P energy: -19.099
tors. eta vs tors. theta energy: 2.368
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: 5
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -554.970010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.970010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.970010 (E_RNA)
where:
Base-Base interactions energy: -370.555
where: short stacking energy: -189.874
Base-Backbone interact. energy: -0.074
local terms energy: -184.341191
where:
bonds (distance) C4'-P energy: -33.653
bonds (distance) P-C4' energy: -28.764
flat angles C4'-P-C4' energy: -42.382
flat angles P-C4'-P energy: -27.417
tors. eta vs tors. theta energy: -52.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -520.660609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.660609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.660609 (E_RNA)
where:
Base-Base interactions energy: -369.707
where: short stacking energy: -158.985
Base-Backbone interact. energy: -0.068
local terms energy: -150.885563
where:
bonds (distance) C4'-P energy: -32.233
bonds (distance) P-C4' energy: -28.496
flat angles C4'-P-C4' energy: -35.376
flat angles P-C4'-P energy: -21.016
tors. eta vs tors. theta energy: -33.765
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: 142
Temperature: 1.000000
Total energy: -500.808498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.808498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.808498 (E_RNA)
where:
Base-Base interactions energy: -340.274
where: short stacking energy: -150.358
Base-Backbone interact. energy: 0.799
local terms energy: -161.333517
where:
bonds (distance) C4'-P energy: -26.690
bonds (distance) P-C4' energy: -35.615
flat angles C4'-P-C4' energy: -36.023
flat angles P-C4'-P energy: -26.171
tors. eta vs tors. theta energy: -36.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -446.401276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.401276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.401276 (E_RNA)
where:
Base-Base interactions energy: -304.612
where: short stacking energy: -129.798
Base-Backbone interact. energy: -0.639
local terms energy: -141.150410
where:
bonds (distance) C4'-P energy: -29.430
bonds (distance) P-C4' energy: -34.830
flat angles C4'-P-C4' energy: -29.562
flat angles P-C4'-P energy: -17.288
tors. eta vs tors. theta energy: -30.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -459.551063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.551063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.551063 (E_RNA)
where:
Base-Base interactions energy: -310.760
where: short stacking energy: -134.835
Base-Backbone interact. energy: -0.641
local terms energy: -148.150332
where:
bonds (distance) C4'-P energy: -33.141
bonds (distance) P-C4' energy: -29.086
flat angles C4'-P-C4' energy: -31.442
flat angles P-C4'-P energy: -24.032
tors. eta vs tors. theta energy: -30.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -341.270644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.270644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.270644 (E_RNA)
where:
Base-Base interactions energy: -214.628
where: short stacking energy: -106.861
Base-Backbone interact. energy: 0.253
local terms energy: -126.895678
where:
bonds (distance) C4'-P energy: -30.082
bonds (distance) P-C4' energy: -33.259
flat angles C4'-P-C4' energy: -24.973
flat angles P-C4'-P energy: -23.720
tors. eta vs tors. theta energy: -14.862
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: 8
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -329.600578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.600578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.600578 (E_RNA)
where:
Base-Base interactions energy: -191.328
where: short stacking energy: -93.908
Base-Backbone interact. energy: 0.572
local terms energy: -138.844120
where:
bonds (distance) C4'-P energy: -27.554
bonds (distance) P-C4' energy: -32.709
flat angles C4'-P-C4' energy: -35.504
flat angles P-C4'-P energy: -21.702
tors. eta vs tors. theta energy: -21.376
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: 3
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -314.528227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.528227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.528227 (E_RNA)
where:
Base-Base interactions energy: -197.073
where: short stacking energy: -101.694
Base-Backbone interact. energy: 0.037
local terms energy: -117.492052
where:
bonds (distance) C4'-P energy: -36.053
bonds (distance) P-C4' energy: -21.776
flat angles C4'-P-C4' energy: -22.523
flat angles P-C4'-P energy: -16.208
tors. eta vs tors. theta energy: -20.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -287.012392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.012392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.012392 (E_RNA)
where:
Base-Base interactions energy: -173.203
where: short stacking energy: -81.063
Base-Backbone interact. energy: -0.447
local terms energy: -113.362984
where:
bonds (distance) C4'-P energy: -27.848
bonds (distance) P-C4' energy: -26.425
flat angles C4'-P-C4' energy: -36.152
flat angles P-C4'-P energy: -16.366
tors. eta vs tors. theta energy: -6.571
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: 142
Temperature: 1.350000
Total energy: -219.996395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.996395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.996395 (E_RNA)
where:
Base-Base interactions energy: -108.282
where: short stacking energy: -59.870
Base-Backbone interact. energy: 2.206
local terms energy: -113.919770
where:
bonds (distance) C4'-P energy: -33.909
bonds (distance) P-C4' energy: -24.422
flat angles C4'-P-C4' energy: -33.479
flat angles P-C4'-P energy: -19.766
tors. eta vs tors. theta energy: -2.345
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: 5
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -554.091894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.091894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.091894 (E_RNA)
where:
Base-Base interactions energy: -366.470
where: short stacking energy: -184.836
Base-Backbone interact. energy: -0.098
local terms energy: -187.524367
where:
bonds (distance) C4'-P energy: -36.604
bonds (distance) P-C4' energy: -32.103
flat angles C4'-P-C4' energy: -34.935
flat angles P-C4'-P energy: -30.007
tors. eta vs tors. theta energy: -53.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -509.534551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.534551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.534551 (E_RNA)
where:
Base-Base interactions energy: -343.067
where: short stacking energy: -143.491
Base-Backbone interact. energy: -0.381
local terms energy: -166.087417
where:
bonds (distance) C4'-P energy: -35.511
bonds (distance) P-C4' energy: -32.953
flat angles C4'-P-C4' energy: -38.514
flat angles P-C4'-P energy: -22.527
tors. eta vs tors. theta energy: -36.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -484.836887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.836887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.836887 (E_RNA)
where:
Base-Base interactions energy: -327.835
where: short stacking energy: -126.767
Base-Backbone interact. energy: -0.897
local terms energy: -156.105465
where:
bonds (distance) C4'-P energy: -23.546
bonds (distance) P-C4' energy: -34.890
flat angles C4'-P-C4' energy: -40.349
flat angles P-C4'-P energy: -24.511
tors. eta vs tors. theta energy: -32.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -473.957063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.957063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.957063 (E_RNA)
where:
Base-Base interactions energy: -319.536
where: short stacking energy: -172.626
Base-Backbone interact. energy: -0.105
local terms energy: -154.315547
where:
bonds (distance) C4'-P energy: -29.051
bonds (distance) P-C4' energy: -27.054
flat angles C4'-P-C4' energy: -34.452
flat angles P-C4'-P energy: -24.875
tors. eta vs tors. theta energy: -38.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -441.958825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.958825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.958825 (E_RNA)
where:
Base-Base interactions energy: -303.157
where: short stacking energy: -145.315
Base-Backbone interact. energy: -0.730
local terms energy: -138.071321
where:
bonds (distance) C4'-P energy: -29.416
bonds (distance) P-C4' energy: -30.832
flat angles C4'-P-C4' energy: -33.172
flat angles P-C4'-P energy: -13.446
tors. eta vs tors. theta energy: -31.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -366.801629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.801629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.801629 (E_RNA)
where:
Base-Base interactions energy: -230.620
where: short stacking energy: -118.620
Base-Backbone interact. energy: 0.095
local terms energy: -136.276499
where:
bonds (distance) C4'-P energy: -25.650
bonds (distance) P-C4' energy: -36.881
flat angles C4'-P-C4' energy: -36.680
flat angles P-C4'-P energy: -12.350
tors. eta vs tors. theta energy: -24.714
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: 10
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -315.320520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.320520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.320520 (E_RNA)
where:
Base-Base interactions energy: -186.095
where: short stacking energy: -94.509
Base-Backbone interact. energy: -0.339
local terms energy: -128.887241
where:
bonds (distance) C4'-P energy: -23.158
bonds (distance) P-C4' energy: -29.986
flat angles C4'-P-C4' energy: -38.541
flat angles P-C4'-P energy: -24.996
tors. eta vs tors. theta energy: -12.206
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: 1
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -327.523739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.523739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.523739 (E_RNA)
where:
Base-Base interactions energy: -199.695
where: short stacking energy: -91.071
Base-Backbone interact. energy: -0.178
local terms energy: -127.650141
where:
bonds (distance) C4'-P energy: -30.114
bonds (distance) P-C4' energy: -29.940
flat angles C4'-P-C4' energy: -24.419
flat angles P-C4'-P energy: -25.197
tors. eta vs tors. theta energy: -17.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -294.733006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.733006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.733006 (E_RNA)
where:
Base-Base interactions energy: -166.919
where: short stacking energy: -81.377
Base-Backbone interact. energy: -0.431
local terms energy: -127.382489
where:
bonds (distance) C4'-P energy: -29.461
bonds (distance) P-C4' energy: -36.602
flat angles C4'-P-C4' energy: -24.398
flat angles P-C4'-P energy: -28.785
tors. eta vs tors. theta energy: -8.137
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: 7
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -230.964075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.964075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.964075 (E_RNA)
where:
Base-Base interactions energy: -106.230
where: short stacking energy: -59.233
Base-Backbone interact. energy: 0.027
local terms energy: -124.761475
where:
bonds (distance) C4'-P energy: -31.462
bonds (distance) P-C4' energy: -36.688
flat angles C4'-P-C4' energy: -23.803
flat angles P-C4'-P energy: -22.796
tors. eta vs tors. theta energy: -10.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -533.540631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.540631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.540631 (E_RNA)
where:
Base-Base interactions energy: -363.384
where: short stacking energy: -158.362
Base-Backbone interact. energy: -1.046
local terms energy: -169.111345
where:
bonds (distance) C4'-P energy: -27.911
bonds (distance) P-C4' energy: -37.213
flat angles C4'-P-C4' energy: -37.545
flat angles P-C4'-P energy: -26.461
tors. eta vs tors. theta energy: -39.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -536.051739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.051739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.051739 (E_RNA)
where:
Base-Base interactions energy: -342.239
where: short stacking energy: -168.343
Base-Backbone interact. energy: -0.087
local terms energy: -193.725640
where:
bonds (distance) C4'-P energy: -38.578
bonds (distance) P-C4' energy: -34.673
flat angles C4'-P-C4' energy: -42.893
flat angles P-C4'-P energy: -28.064
tors. eta vs tors. theta energy: -49.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -526.235496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.235496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.235496 (E_RNA)
where:
Base-Base interactions energy: -354.174
where: short stacking energy: -143.673
Base-Backbone interact. energy: -0.567
local terms energy: -171.494106
where:
bonds (distance) C4'-P energy: -33.824
bonds (distance) P-C4' energy: -32.203
flat angles C4'-P-C4' energy: -35.841
flat angles P-C4'-P energy: -26.115
tors. eta vs tors. theta energy: -43.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -458.756772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.756772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.756772 (E_RNA)
where:
Base-Base interactions energy: -296.063
where: short stacking energy: -144.371
Base-Backbone interact. energy: -0.264
local terms energy: -162.429884
where:
bonds (distance) C4'-P energy: -36.539
bonds (distance) P-C4' energy: -29.545
flat angles C4'-P-C4' energy: -31.483
flat angles P-C4'-P energy: -27.344
tors. eta vs tors. theta energy: -37.520
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: 2
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -446.806492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.806492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.806492 (E_RNA)
where:
Base-Base interactions energy: -303.807
where: short stacking energy: -130.280
Base-Backbone interact. energy: -0.708
local terms energy: -142.291868
where:
bonds (distance) C4'-P energy: -32.081
bonds (distance) P-C4' energy: -27.881
flat angles C4'-P-C4' energy: -31.132
flat angles P-C4'-P energy: -20.359
tors. eta vs tors. theta energy: -30.839
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: 8
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -344.769474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.769474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.769474 (E_RNA)
where:
Base-Base interactions energy: -222.097
where: short stacking energy: -116.722
Base-Backbone interact. energy: -0.890
local terms energy: -121.782854
where:
bonds (distance) C4'-P energy: -29.911
bonds (distance) P-C4' energy: -32.165
flat angles C4'-P-C4' energy: -22.492
flat angles P-C4'-P energy: -13.737
tors. eta vs tors. theta energy: -23.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -355.729495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.729495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.729495 (E_RNA)
where:
Base-Base interactions energy: -226.376
where: short stacking energy: -123.319
Base-Backbone interact. energy: -0.623
local terms energy: -128.730919
where:
bonds (distance) C4'-P energy: -22.215
bonds (distance) P-C4' energy: -26.718
flat angles C4'-P-C4' energy: -33.542
flat angles P-C4'-P energy: -23.108
tors. eta vs tors. theta energy: -23.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -351.959507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.959507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.959507 (E_RNA)
where:
Base-Base interactions energy: -221.866
where: short stacking energy: -110.651
Base-Backbone interact. energy: -1.274
local terms energy: -128.819963
where:
bonds (distance) C4'-P energy: -22.066
bonds (distance) P-C4' energy: -29.155
flat angles C4'-P-C4' energy: -33.163
flat angles P-C4'-P energy: -18.881
tors. eta vs tors. theta energy: -25.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -296.399893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.399893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.399893 (E_RNA)
where:
Base-Base interactions energy: -176.174
where: short stacking energy: -84.174
Base-Backbone interact. energy: -0.976
local terms energy: -119.249757
where:
bonds (distance) C4'-P energy: -19.334
bonds (distance) P-C4' energy: -34.258
flat angles C4'-P-C4' energy: -28.610
flat angles P-C4'-P energy: -17.489
tors. eta vs tors. theta energy: -19.559
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: 10, replica: 7
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -220.902754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.902754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.902754 (E_RNA)
where:
Base-Base interactions energy: -111.380
where: short stacking energy: -55.717
Base-Backbone interact. energy: -0.762
local terms energy: -108.760629
where:
bonds (distance) C4'-P energy: -30.581
bonds (distance) P-C4' energy: -28.573
flat angles C4'-P-C4' energy: -34.134
flat angles P-C4'-P energy: -15.443
tors. eta vs tors. theta energy: -0.031
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: 9
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -529.914421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.914421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.914421 (E_RNA)
where:
Base-Base interactions energy: -367.402
where: short stacking energy: -156.139
Base-Backbone interact. energy: -0.315
local terms energy: -162.197782
where:
bonds (distance) C4'-P energy: -35.131
bonds (distance) P-C4' energy: -30.479
flat angles C4'-P-C4' energy: -34.553
flat angles P-C4'-P energy: -25.197
tors. eta vs tors. theta energy: -36.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -569.674363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.674363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.674363 (E_RNA)
where:
Base-Base interactions energy: -385.060
where: short stacking energy: -197.320
Base-Backbone interact. energy: -0.008
local terms energy: -184.606377
where:
bonds (distance) C4'-P energy: -28.900
bonds (distance) P-C4' energy: -37.687
flat angles C4'-P-C4' energy: -36.925
flat angles P-C4'-P energy: -25.493
tors. eta vs tors. theta energy: -55.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -510.503187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.503187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.503187 (E_RNA)
where:
Base-Base interactions energy: -353.598
where: short stacking energy: -155.226
Base-Backbone interact. energy: -1.727
local terms energy: -155.177718
where:
bonds (distance) C4'-P energy: -36.458
bonds (distance) P-C4' energy: -30.129
flat angles C4'-P-C4' energy: -33.274
flat angles P-C4'-P energy: -17.485
tors. eta vs tors. theta energy: -37.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -459.610854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.610854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.610854 (E_RNA)
where:
Base-Base interactions energy: -308.383
where: short stacking energy: -140.635
Base-Backbone interact. energy: -1.299
local terms energy: -149.928771
where:
bonds (distance) C4'-P energy: -26.574
bonds (distance) P-C4' energy: -28.817
flat angles C4'-P-C4' energy: -36.257
flat angles P-C4'-P energy: -20.150
tors. eta vs tors. theta energy: -38.130
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: 2
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -436.695288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.695288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.695288 (E_RNA)
where:
Base-Base interactions energy: -283.219
where: short stacking energy: -108.931
Base-Backbone interact. energy: -1.116
local terms energy: -152.360553
where:
bonds (distance) C4'-P energy: -34.013
bonds (distance) P-C4' energy: -34.048
flat angles C4'-P-C4' energy: -35.054
flat angles P-C4'-P energy: -25.426
tors. eta vs tors. theta energy: -23.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -344.843053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.843053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.843053 (E_RNA)
where:
Base-Base interactions energy: -216.121
where: short stacking energy: -109.205
Base-Backbone interact. energy: -0.689
local terms energy: -128.032755
where:
bonds (distance) C4'-P energy: -26.523
bonds (distance) P-C4' energy: -31.868
flat angles C4'-P-C4' energy: -36.397
flat angles P-C4'-P energy: -21.967
tors. eta vs tors. theta energy: -11.278
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: 7, replica: 1
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -354.367285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.367285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.367285 (E_RNA)
where:
Base-Base interactions energy: -221.108
where: short stacking energy: -122.167
Base-Backbone interact. energy: -0.493
local terms energy: -132.765802
where:
bonds (distance) C4'-P energy: -28.601
bonds (distance) P-C4' energy: -30.951
flat angles C4'-P-C4' energy: -31.213
flat angles P-C4'-P energy: -12.223
tors. eta vs tors. theta energy: -29.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -319.990341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.990341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.990341 (E_RNA)
where:
Base-Base interactions energy: -194.628
where: short stacking energy: -93.411
Base-Backbone interact. energy: -0.101
local terms energy: -125.261954
where:
bonds (distance) C4'-P energy: -32.854
bonds (distance) P-C4' energy: -36.941
flat angles C4'-P-C4' energy: -30.620
flat angles P-C4'-P energy: -14.924
tors. eta vs tors. theta energy: -9.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -301.641677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.641677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.641677 (E_RNA)
where:
Base-Base interactions energy: -190.161
where: short stacking energy: -79.970
Base-Backbone interact. energy: -0.694
local terms energy: -110.786694
where:
bonds (distance) C4'-P energy: -29.207
bonds (distance) P-C4' energy: -30.660
flat angles C4'-P-C4' energy: -30.548
flat angles P-C4'-P energy: -21.057
tors. eta vs tors. theta energy: 0.686
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: 7
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -205.131028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.131028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.131028 (E_RNA)
where:
Base-Base interactions energy: -95.903
where: short stacking energy: -53.485
Base-Backbone interact. energy: -1.345
local terms energy: -107.882748
where:
bonds (distance) C4'-P energy: -34.986
bonds (distance) P-C4' energy: -32.444
flat angles C4'-P-C4' energy: -27.936
flat angles P-C4'-P energy: -14.610
tors. eta vs tors. theta energy: 2.094
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: 5
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -573.151273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.151273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.151273 (E_RNA)
where:
Base-Base interactions energy: -381.240
where: short stacking energy: -192.531
Base-Backbone interact. energy: -0.394
local terms energy: -191.517481
where:
bonds (distance) C4'-P energy: -36.685
bonds (distance) P-C4' energy: -32.647
flat angles C4'-P-C4' energy: -37.399
flat angles P-C4'-P energy: -26.808
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: 9
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -521.622918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.622918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.622918 (E_RNA)
where:
Base-Base interactions energy: -350.492
where: short stacking energy: -159.541
Base-Backbone interact. energy: -0.539
local terms energy: -170.591851
where:
bonds (distance) C4'-P energy: -29.141
bonds (distance) P-C4' energy: -36.173
flat angles C4'-P-C4' energy: -36.980
flat angles P-C4'-P energy: -25.726
tors. eta vs tors. theta energy: -42.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -532.590845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.590845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.590845 (E_RNA)
where:
Base-Base interactions energy: -363.495
where: short stacking energy: -165.867
Base-Backbone interact. energy: -1.734
local terms energy: -167.361909
where:
bonds (distance) C4'-P energy: -31.620
bonds (distance) P-C4' energy: -38.143
flat angles C4'-P-C4' energy: -31.994
flat angles P-C4'-P energy: -24.635
tors. eta vs tors. theta energy: -40.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -446.063025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.063025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.063025 (E_RNA)
where:
Base-Base interactions energy: -299.826
where: short stacking energy: -133.830
Base-Backbone interact. energy: -1.844
local terms energy: -144.392592
where:
bonds (distance) C4'-P energy: -30.678
bonds (distance) P-C4' energy: -32.147
flat angles C4'-P-C4' energy: -31.737
flat angles P-C4'-P energy: -19.021
tors. eta vs tors. theta energy: -30.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -437.495728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.495728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.495728 (E_RNA)
where:
Base-Base interactions energy: -280.255
where: short stacking energy: -124.629
Base-Backbone interact. energy: -0.476
local terms energy: -156.764839
where:
bonds (distance) C4'-P energy: -33.021
bonds (distance) P-C4' energy: -33.543
flat angles C4'-P-C4' energy: -37.169
flat angles P-C4'-P energy: -21.690
tors. eta vs tors. theta energy: -31.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -343.254410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.254410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.254410 (E_RNA)
where:
Base-Base interactions energy: -206.336
where: short stacking energy: -107.963
Base-Backbone interact. energy: -0.691
local terms energy: -136.227782
where:
bonds (distance) C4'-P energy: -33.238
bonds (distance) P-C4' energy: -34.681
flat angles C4'-P-C4' energy: -29.288
flat angles P-C4'-P energy: -18.723
tors. eta vs tors. theta energy: -20.298
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: 7, replica: 10
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -367.200876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.200876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.200876 (E_RNA)
where:
Base-Base interactions energy: -225.405
where: short stacking energy: -113.491
Base-Backbone interact. energy: -0.398
local terms energy: -141.397483
where:
bonds (distance) C4'-P energy: -38.617
bonds (distance) P-C4' energy: -22.574
flat angles C4'-P-C4' energy: -29.255
flat angles P-C4'-P energy: -22.278
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: 8, replica: 1
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -317.160761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.160761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.160761 (E_RNA)
where:
Base-Base interactions energy: -186.664
where: short stacking energy: -95.869
Base-Backbone interact. energy: -0.017
local terms energy: -130.479879
where:
bonds (distance) C4'-P energy: -28.156
bonds (distance) P-C4' energy: -29.889
flat angles C4'-P-C4' energy: -28.765
flat angles P-C4'-P energy: -24.782
tors. eta vs tors. theta energy: -18.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -310.037238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.037238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.037238 (E_RNA)
where:
Base-Base interactions energy: -192.210
where: short stacking energy: -94.888
Base-Backbone interact. energy: 0.855
local terms energy: -118.682371
where:
bonds (distance) C4'-P energy: -35.119
bonds (distance) P-C4' energy: -24.469
flat angles C4'-P-C4' energy: -27.695
flat angles P-C4'-P energy: -16.053
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: 7
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -213.886654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.886654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.886654 (E_RNA)
where:
Base-Base interactions energy: -111.874
where: short stacking energy: -64.462
Base-Backbone interact. energy: 1.226
local terms energy: -103.238321
where:
bonds (distance) C4'-P energy: -28.010
bonds (distance) P-C4' energy: -32.697
flat angles C4'-P-C4' energy: -20.343
flat angles P-C4'-P energy: -26.097
tors. eta vs tors. theta energy: 3.909
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: 5
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -575.240654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.240654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.240654 (E_RNA)
where:
Base-Base interactions energy: -383.563
where: short stacking energy: -179.481
Base-Backbone interact. energy: -0.040
local terms energy: -191.638160
where:
bonds (distance) C4'-P energy: -31.787
bonds (distance) P-C4' energy: -39.175
flat angles C4'-P-C4' energy: -35.497
flat angles P-C4'-P energy: -29.840
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: 2, replica: 6
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -533.135687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.135687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.135687 (E_RNA)
where:
Base-Base interactions energy: -355.890
where: short stacking energy: -167.197
Base-Backbone interact. energy: 0.534
local terms energy: -177.780267
where:
bonds (distance) C4'-P energy: -38.273
bonds (distance) P-C4' energy: -35.789
flat angles C4'-P-C4' energy: -35.309
flat angles P-C4'-P energy: -23.558
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: 3, replica: 9
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -511.108806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.108806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.108806 (E_RNA)
where:
Base-Base interactions energy: -337.643
where: short stacking energy: -152.705
Base-Backbone interact. energy: -0.537
local terms energy: -172.928766
where:
bonds (distance) C4'-P energy: -36.633
bonds (distance) P-C4' energy: -35.954
flat angles C4'-P-C4' energy: -36.535
flat angles P-C4'-P energy: -23.584
tors. eta vs tors. theta energy: -40.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -472.909148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.909148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.909148 (E_RNA)
where:
Base-Base interactions energy: -303.135
where: short stacking energy: -136.273
Base-Backbone interact. energy: -2.140
local terms energy: -167.634411
where:
bonds (distance) C4'-P energy: -40.016
bonds (distance) P-C4' energy: -37.952
flat angles C4'-P-C4' energy: -36.105
flat angles P-C4'-P energy: -22.513
tors. eta vs tors. theta energy: -31.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -448.225448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.225448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.225448 (E_RNA)
where:
Base-Base interactions energy: -287.286
where: short stacking energy: -128.203
Base-Backbone interact. energy: 2.794
local terms energy: -163.733020
where:
bonds (distance) C4'-P energy: -30.085
bonds (distance) P-C4' energy: -38.342
flat angles C4'-P-C4' energy: -34.289
flat angles P-C4'-P energy: -29.231
tors. eta vs tors. theta energy: -31.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -364.309992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.309992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.309992 (E_RNA)
where:
Base-Base interactions energy: -225.326
where: short stacking energy: -105.457
Base-Backbone interact. energy: -0.719
local terms energy: -138.264814
where:
bonds (distance) C4'-P energy: -28.722
bonds (distance) P-C4' energy: -34.025
flat angles C4'-P-C4' energy: -31.553
flat angles P-C4'-P energy: -22.821
tors. eta vs tors. theta energy: -21.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -363.558896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.558896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.558896 (E_RNA)
where:
Base-Base interactions energy: -229.318
where: short stacking energy: -110.723
Base-Backbone interact. energy: -0.830
local terms energy: -133.411022
where:
bonds (distance) C4'-P energy: -30.684
bonds (distance) P-C4' energy: -35.842
flat angles C4'-P-C4' energy: -23.922
flat angles P-C4'-P energy: -14.267
tors. eta vs tors. theta energy: -28.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -340.342157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.342157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.342157 (E_RNA)
where:
Base-Base interactions energy: -209.019
where: short stacking energy: -115.383
Base-Backbone interact. energy: -0.151
local terms energy: -131.172504
where:
bonds (distance) C4'-P energy: -35.236
bonds (distance) P-C4' energy: -31.517
flat angles C4'-P-C4' energy: -25.220
flat angles P-C4'-P energy: -17.411
tors. eta vs tors. theta energy: -21.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -307.655332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.655332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.655332 (E_RNA)
where:
Base-Base interactions energy: -186.290
where: short stacking energy: -91.427
Base-Backbone interact. energy: -0.134
local terms energy: -121.231357
where:
bonds (distance) C4'-P energy: -28.900
bonds (distance) P-C4' energy: -29.072
flat angles C4'-P-C4' energy: -25.176
flat angles P-C4'-P energy: -20.040
tors. eta vs tors. theta energy: -18.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -224.446098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.446098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.446098 (E_RNA)
where:
Base-Base interactions energy: -114.761
where: short stacking energy: -70.731
Base-Backbone interact. energy: -0.050
local terms energy: -109.634293
where:
bonds (distance) C4'-P energy: -31.421
bonds (distance) P-C4' energy: -27.155
flat angles C4'-P-C4' energy: -28.377
flat angles P-C4'-P energy: -15.510
tors. eta vs tors. theta energy: -7.172
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: 5
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -567.473166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.473166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.473166 (E_RNA)
where:
Base-Base interactions energy: -378.682
where: short stacking energy: -180.688
Base-Backbone interact. energy: -0.028
local terms energy: -188.763476
where:
bonds (distance) C4'-P energy: -34.212
bonds (distance) P-C4' energy: -35.636
flat angles C4'-P-C4' energy: -37.165
flat angles P-C4'-P energy: -24.879
tors. eta vs tors. theta energy: -56.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -552.073134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.073134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.073134 (E_RNA)
where:
Base-Base interactions energy: -374.392
where: short stacking energy: -160.549
Base-Backbone interact. energy: -1.773
local terms energy: -175.907563
where:
bonds (distance) C4'-P energy: -35.300
bonds (distance) P-C4' energy: -36.108
flat angles C4'-P-C4' energy: -42.638
flat angles P-C4'-P energy: -20.318
tors. eta vs tors. theta energy: -41.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -519.706005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.706005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.706005 (E_RNA)
where:
Base-Base interactions energy: -352.276
where: short stacking energy: -159.996
Base-Backbone interact. energy: -0.788
local terms energy: -166.641959
where:
bonds (distance) C4'-P energy: -28.098
bonds (distance) P-C4' energy: -36.055
flat angles C4'-P-C4' energy: -39.309
flat angles P-C4'-P energy: -21.565
tors. eta vs tors. theta energy: -41.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -501.818423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.818423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.818423 (E_RNA)
where:
Base-Base interactions energy: -332.042
where: short stacking energy: -138.201
Base-Backbone interact. energy: -1.051
local terms energy: -168.725791
where:
bonds (distance) C4'-P energy: -31.073
bonds (distance) P-C4' energy: -38.237
flat angles C4'-P-C4' energy: -38.342
flat angles P-C4'-P energy: -24.358
tors. eta vs tors. theta energy: -36.715
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: 148
Temperature: 1.100000
Total energy: -450.289723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.289723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.289723 (E_RNA)
where:
Base-Base interactions energy: -295.964
where: short stacking energy: -129.741
Base-Backbone interact. energy: -0.767
local terms energy: -153.558875
where:
bonds (distance) C4'-P energy: -21.934
bonds (distance) P-C4' energy: -34.076
flat angles C4'-P-C4' energy: -38.704
flat angles P-C4'-P energy: -22.576
tors. eta vs tors. theta energy: -36.270
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: 10
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -380.173806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.173806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.173806 (E_RNA)
where:
Base-Base interactions energy: -239.231
where: short stacking energy: -123.266
Base-Backbone interact. energy: 2.600
local terms energy: -143.543200
where:
bonds (distance) C4'-P energy: -32.445
bonds (distance) P-C4' energy: -24.563
flat angles C4'-P-C4' energy: -34.658
flat angles P-C4'-P energy: -21.918
tors. eta vs tors. theta energy: -29.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -340.029870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.029870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.029870 (E_RNA)
where:
Base-Base interactions energy: -192.513
where: short stacking energy: -95.995
Base-Backbone interact. energy: -0.506
local terms energy: -147.011160
where:
bonds (distance) C4'-P energy: -32.560
bonds (distance) P-C4' energy: -38.640
flat angles C4'-P-C4' energy: -22.095
flat angles P-C4'-P energy: -25.571
tors. eta vs tors. theta energy: -28.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -311.868586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.868586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.868586 (E_RNA)
where:
Base-Base interactions energy: -192.122
where: short stacking energy: -94.393
Base-Backbone interact. energy: 0.511
local terms energy: -120.258177
where:
bonds (distance) C4'-P energy: -17.139
bonds (distance) P-C4' energy: -33.753
flat angles C4'-P-C4' energy: -30.516
flat angles P-C4'-P energy: -16.909
tors. eta vs tors. theta energy: -21.941
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: 1
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -290.664883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.664883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.664883 (E_RNA)
where:
Base-Base interactions energy: -173.642
where: short stacking energy: -74.833
Base-Backbone interact. energy: -0.734
local terms energy: -116.288241
where:
bonds (distance) C4'-P energy: -23.428
bonds (distance) P-C4' energy: -27.080
flat angles C4'-P-C4' energy: -32.778
flat angles P-C4'-P energy: -22.884
tors. eta vs tors. theta energy: -10.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -145.227828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.227828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.227828 (E_RNA)
where:
Base-Base interactions energy: -51.596
where: short stacking energy: -48.288
Base-Backbone interact. energy: -0.325
local terms energy: -93.306824
where:
bonds (distance) C4'-P energy: -26.073
bonds (distance) P-C4' energy: -25.422
flat angles C4'-P-C4' energy: -18.655
flat angles P-C4'-P energy: -25.239
tors. eta vs tors. theta energy: 2.083
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: 5
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -579.859150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.859150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.859150 (E_RNA)
where:
Base-Base interactions energy: -387.522
where: short stacking energy: -194.690
Base-Backbone interact. energy: -0.489
local terms energy: -191.848036
where:
bonds (distance) C4'-P energy: -27.276
bonds (distance) P-C4' energy: -38.673
flat angles C4'-P-C4' energy: -42.732
flat angles P-C4'-P energy: -27.087
tors. eta vs tors. theta energy: -56.080
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: 6
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -551.311814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.311814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.311814 (E_RNA)
where:
Base-Base interactions energy: -362.684
where: short stacking energy: -173.123
Base-Backbone interact. energy: -0.572
local terms energy: -188.055782
where:
bonds (distance) C4'-P energy: -35.616
bonds (distance) P-C4' energy: -34.024
flat angles C4'-P-C4' energy: -40.487
flat angles P-C4'-P energy: -26.868
tors. eta vs tors. theta energy: -51.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -492.835529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.835529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.835529 (E_RNA)
where:
Base-Base interactions energy: -335.424
where: short stacking energy: -155.658
Base-Backbone interact. energy: -0.261
local terms energy: -157.150409
where:
bonds (distance) C4'-P energy: -27.830
bonds (distance) P-C4' energy: -31.682
flat angles C4'-P-C4' energy: -33.254
flat angles P-C4'-P energy: -26.171
tors. eta vs tors. theta energy: -38.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -458.736603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.736603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.736603 (E_RNA)
where:
Base-Base interactions energy: -302.895
where: short stacking energy: -136.924
Base-Backbone interact. energy: 0.380
local terms energy: -156.221706
where:
bonds (distance) C4'-P energy: -34.460
bonds (distance) P-C4' energy: -31.342
flat angles C4'-P-C4' energy: -31.915
flat angles P-C4'-P energy: -29.560
tors. eta vs tors. theta energy: -28.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -457.245634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.245634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.245634 (E_RNA)
where:
Base-Base interactions energy: -316.040
where: short stacking energy: -136.621
Base-Backbone interact. energy: -0.304
local terms energy: -140.901781
where:
bonds (distance) C4'-P energy: -26.528
bonds (distance) P-C4' energy: -24.184
flat angles C4'-P-C4' energy: -31.010
flat angles P-C4'-P energy: -23.742
tors. eta vs tors. theta energy: -35.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -357.596495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.596495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.596495 (E_RNA)
where:
Base-Base interactions energy: -221.942
where: short stacking energy: -114.943
Base-Backbone interact. energy: -1.634
local terms energy: -134.020604
where:
bonds (distance) C4'-P energy: -29.390
bonds (distance) P-C4' energy: -34.422
flat angles C4'-P-C4' energy: -29.584
flat angles P-C4'-P energy: -13.872
tors. eta vs tors. theta energy: -26.753
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: 10
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -353.559439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.559439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.559439 (E_RNA)
where:
Base-Base interactions energy: -232.102
where: short stacking energy: -84.687
Base-Backbone interact. energy: 2.846
local terms energy: -124.303717
where:
bonds (distance) C4'-P energy: -32.160
bonds (distance) P-C4' energy: -29.480
flat angles C4'-P-C4' energy: -26.807
flat angles P-C4'-P energy: -18.431
tors. eta vs tors. theta energy: -17.426
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: 1
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -305.106278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.106278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.106278 (E_RNA)
where:
Base-Base interactions energy: -190.343
where: short stacking energy: -94.022
Base-Backbone interact. energy: -0.549
local terms energy: -114.214831
where:
bonds (distance) C4'-P energy: -31.987
bonds (distance) P-C4' energy: -25.885
flat angles C4'-P-C4' energy: -34.527
flat angles P-C4'-P energy: -15.273
tors. eta vs tors. theta energy: -6.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -300.957176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.957176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.957176 (E_RNA)
where:
Base-Base interactions energy: -164.430
where: short stacking energy: -69.150
Base-Backbone interact. energy: -0.294
local terms energy: -136.232922
where:
bonds (distance) C4'-P energy: -31.317
bonds (distance) P-C4' energy: -32.028
flat angles C4'-P-C4' energy: -39.053
flat angles P-C4'-P energy: -24.936
tors. eta vs tors. theta energy: -8.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -156.583313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.583313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.583313 (E_RNA)
where:
Base-Base interactions energy: -59.201
where: short stacking energy: -54.981
Base-Backbone interact. energy: 1.470
local terms energy: -98.851894
where:
bonds (distance) C4'-P energy: -33.537
bonds (distance) P-C4' energy: -31.627
flat angles C4'-P-C4' energy: -18.967
flat angles P-C4'-P energy: -15.599
tors. eta vs tors. theta energy: 0.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -557.190395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.190395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.190395 (E_RNA)
where:
Base-Base interactions energy: -367.616
where: short stacking energy: -195.969
Base-Backbone interact. energy: -0.396
local terms energy: -189.178106
where:
bonds (distance) C4'-P energy: -35.741
bonds (distance) P-C4' energy: -36.618
flat angles C4'-P-C4' energy: -37.226
flat angles P-C4'-P energy: -23.283
tors. eta vs tors. theta energy: -56.310
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: 2, replica: 6
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -555.695069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.695069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.695069 (E_RNA)
where:
Base-Base interactions energy: -364.709
where: short stacking energy: -175.692
Base-Backbone interact. energy: -0.119
local terms energy: -190.867030
where:
bonds (distance) C4'-P energy: -36.083
bonds (distance) P-C4' energy: -38.122
flat angles C4'-P-C4' energy: -39.074
flat angles P-C4'-P energy: -23.530
tors. eta vs tors. theta energy: -54.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -487.000625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.000625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.000625 (E_RNA)
where:
Base-Base interactions energy: -331.907
where: short stacking energy: -149.681
Base-Backbone interact. energy: -0.381
local terms energy: -154.712935
where:
bonds (distance) C4'-P energy: -29.235
bonds (distance) P-C4' energy: -34.659
flat angles C4'-P-C4' energy: -33.273
flat angles P-C4'-P energy: -23.627
tors. eta vs tors. theta energy: -33.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -453.912865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.912865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.912865 (E_RNA)
where:
Base-Base interactions energy: -300.622
where: short stacking energy: -126.049
Base-Backbone interact. energy: -0.412
local terms energy: -152.878570
where:
bonds (distance) C4'-P energy: -26.307
bonds (distance) P-C4' energy: -31.188
flat angles C4'-P-C4' energy: -35.996
flat angles P-C4'-P energy: -28.567
tors. eta vs tors. theta energy: -30.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -450.249877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.249877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.249877 (E_RNA)
where:
Base-Base interactions energy: -302.988
where: short stacking energy: -131.127
Base-Backbone interact. energy: 0.026
local terms energy: -147.287133
where:
bonds (distance) C4'-P energy: -39.453
bonds (distance) P-C4' energy: -27.596
flat angles C4'-P-C4' energy: -31.138
flat angles P-C4'-P energy: -13.804
tors. eta vs tors. theta energy: -35.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -353.938872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.938872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.938872 (E_RNA)
where:
Base-Base interactions energy: -217.250
where: short stacking energy: -110.888
Base-Backbone interact. energy: -0.139
local terms energy: -136.550187
where:
bonds (distance) C4'-P energy: -24.210
bonds (distance) P-C4' energy: -36.082
flat angles C4'-P-C4' energy: -34.999
flat angles P-C4'-P energy: -20.104
tors. eta vs tors. theta energy: -21.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -352.102304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.102304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.102304 (E_RNA)
where:
Base-Base interactions energy: -217.082
where: short stacking energy: -120.998
Base-Backbone interact. energy: -0.188
local terms energy: -134.831891
where:
bonds (distance) C4'-P energy: -31.886
bonds (distance) P-C4' energy: -28.040
flat angles C4'-P-C4' energy: -29.645
flat angles P-C4'-P energy: -14.109
tors. eta vs tors. theta energy: -31.152
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: 1
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -328.361854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.361854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.361854 (E_RNA)
where:
Base-Base interactions energy: -198.580
where: short stacking energy: -96.796
Base-Backbone interact. energy: -0.887
local terms energy: -128.894404
where:
bonds (distance) C4'-P energy: -27.869
bonds (distance) P-C4' energy: -31.213
flat angles C4'-P-C4' energy: -25.977
flat angles P-C4'-P energy: -22.482
tors. eta vs tors. theta energy: -21.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -302.833403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.833403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.833403 (E_RNA)
where:
Base-Base interactions energy: -176.255
where: short stacking energy: -90.512
Base-Backbone interact. energy: 0.526
local terms energy: -127.103787
where:
bonds (distance) C4'-P energy: -32.593
bonds (distance) P-C4' energy: -32.880
flat angles C4'-P-C4' energy: -27.795
flat angles P-C4'-P energy: -20.820
tors. eta vs tors. theta energy: -13.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -166.474488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.474488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.474488 (E_RNA)
where:
Base-Base interactions energy: -62.459
where: short stacking energy: -46.026
Base-Backbone interact. energy: -0.521
local terms energy: -103.494237
where:
bonds (distance) C4'-P energy: -24.203
bonds (distance) P-C4' energy: -33.086
flat angles C4'-P-C4' energy: -24.914
flat angles P-C4'-P energy: -18.801
tors. eta vs tors. theta energy: -2.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -563.638211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.638211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.638211 (E_RNA)
where:
Base-Base interactions energy: -364.767
where: short stacking energy: -186.002
Base-Backbone interact. energy: 0.733
local terms energy: -199.603948
where:
bonds (distance) C4'-P energy: -34.944
bonds (distance) P-C4' energy: -36.966
flat angles C4'-P-C4' energy: -41.764
flat angles P-C4'-P energy: -30.165
tors. eta vs tors. theta energy: -55.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -539.843912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.843912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.843912 (E_RNA)
where:
Base-Base interactions energy: -369.715
where: short stacking energy: -170.542
Base-Backbone interact. energy: 0.931
local terms energy: -171.059117
where:
bonds (distance) C4'-P energy: -36.695
bonds (distance) P-C4' energy: -39.595
flat angles C4'-P-C4' energy: -25.607
flat angles P-C4'-P energy: -27.146
tors. eta vs tors. theta energy: -42.017
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: 9
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -479.985013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.985013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.985013 (E_RNA)
where:
Base-Base interactions energy: -323.240
where: short stacking energy: -148.585
Base-Backbone interact. energy: -0.050
local terms energy: -156.695274
where:
bonds (distance) C4'-P energy: -34.605
bonds (distance) P-C4' energy: -35.740
flat angles C4'-P-C4' energy: -31.869
flat angles P-C4'-P energy: -15.489
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: 4, replica: 4
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -448.624424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.624424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.624424 (E_RNA)
where:
Base-Base interactions energy: -303.437
where: short stacking energy: -131.086
Base-Backbone interact. energy: 0.297
local terms energy: -145.485283
where:
bonds (distance) C4'-P energy: -34.255
bonds (distance) P-C4' energy: -34.192
flat angles C4'-P-C4' energy: -30.308
flat angles P-C4'-P energy: -15.929
tors. eta vs tors. theta energy: -30.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -448.103304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.103304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.103304 (E_RNA)
where:
Base-Base interactions energy: -296.507
where: short stacking energy: -146.887
Base-Backbone interact. energy: -0.297
local terms energy: -151.299466
where:
bonds (distance) C4'-P energy: -32.105
bonds (distance) P-C4' energy: -30.810
flat angles C4'-P-C4' energy: -34.260
flat angles P-C4'-P energy: -20.696
tors. eta vs tors. theta energy: -33.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -351.981490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.981490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.981490 (E_RNA)
where:
Base-Base interactions energy: -220.617
where: short stacking energy: -104.543
Base-Backbone interact. energy: -0.262
local terms energy: -131.102014
where:
bonds (distance) C4'-P energy: -28.505
bonds (distance) P-C4' energy: -26.457
flat angles C4'-P-C4' energy: -31.954
flat angles P-C4'-P energy: -22.629
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: 7, replica: 10
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -349.971413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.971413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.971413 (E_RNA)
where:
Base-Base interactions energy: -201.287
where: short stacking energy: -106.920
Base-Backbone interact. energy: 0.725
local terms energy: -149.408624
where:
bonds (distance) C4'-P energy: -30.732
bonds (distance) P-C4' energy: -37.851
flat angles C4'-P-C4' energy: -37.354
flat angles P-C4'-P energy: -20.405
tors. eta vs tors. theta energy: -23.068
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: 3
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -306.935150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.935150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.935150 (E_RNA)
where:
Base-Base interactions energy: -195.829
where: short stacking energy: -86.423
Base-Backbone interact. energy: 0.469
local terms energy: -111.575601
where:
bonds (distance) C4'-P energy: -30.276
bonds (distance) P-C4' energy: -32.287
flat angles C4'-P-C4' energy: -22.074
flat angles P-C4'-P energy: -12.542
tors. eta vs tors. theta energy: -14.396
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: 9, replica: 1
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -310.550050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.550050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.550050 (E_RNA)
where:
Base-Base interactions energy: -184.323
where: short stacking energy: -84.314
Base-Backbone interact. energy: 0.172
local terms energy: -126.398699
where:
bonds (distance) C4'-P energy: -29.078
bonds (distance) P-C4' energy: -32.944
flat angles C4'-P-C4' energy: -32.688
flat angles P-C4'-P energy: -18.536
tors. eta vs tors. theta energy: -13.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -155.158454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.158454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.158454 (E_RNA)
where:
Base-Base interactions energy: -60.821
where: short stacking energy: -60.905
Base-Backbone interact. energy: 1.032
local terms energy: -95.369376
where:
bonds (distance) C4'-P energy: -26.666
bonds (distance) P-C4' energy: -28.556
flat angles C4'-P-C4' energy: -22.373
flat angles P-C4'-P energy: -15.721
tors. eta vs tors. theta energy: -2.053
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: 5
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -553.130544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.130544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.130544 (E_RNA)
where:
Base-Base interactions energy: -364.360
where: short stacking energy: -188.235
Base-Backbone interact. energy: -0.162
local terms energy: -188.608452
where:
bonds (distance) C4'-P energy: -33.785
bonds (distance) P-C4' energy: -36.822
flat angles C4'-P-C4' energy: -40.087
flat angles P-C4'-P energy: -26.976
tors. eta vs tors. theta energy: -50.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -547.401848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.401848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.401848 (E_RNA)
where:
Base-Base interactions energy: -373.907
where: short stacking energy: -171.792
Base-Backbone interact. energy: -0.132
local terms energy: -173.362826
where:
bonds (distance) C4'-P energy: -36.452
bonds (distance) P-C4' energy: -28.855
flat angles C4'-P-C4' energy: -39.506
flat angles P-C4'-P energy: -18.850
tors. eta vs tors. theta energy: -49.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -503.044086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.044086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.044086 (E_RNA)
where:
Base-Base interactions energy: -329.562
where: short stacking energy: -151.889
Base-Backbone interact. energy: -0.106
local terms energy: -173.376205
where:
bonds (distance) C4'-P energy: -36.324
bonds (distance) P-C4' energy: -39.269
flat angles C4'-P-C4' energy: -39.460
flat angles P-C4'-P energy: -26.437
tors. eta vs tors. theta energy: -31.886
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: 4
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -451.524189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.524189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.524189 (E_RNA)
where:
Base-Base interactions energy: -291.671
where: short stacking energy: -125.852
Base-Backbone interact. energy: -0.778
local terms energy: -159.074758
where:
bonds (distance) C4'-P energy: -35.292
bonds (distance) P-C4' energy: -36.145
flat angles C4'-P-C4' energy: -30.854
flat angles P-C4'-P energy: -24.389
tors. eta vs tors. theta energy: -32.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -418.057976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.057976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.057976 (E_RNA)
where:
Base-Base interactions energy: -266.858
where: short stacking energy: -136.866
Base-Backbone interact. energy: -0.234
local terms energy: -150.966425
where:
bonds (distance) C4'-P energy: -27.651
bonds (distance) P-C4' energy: -28.884
flat angles C4'-P-C4' energy: -35.659
flat angles P-C4'-P energy: -20.016
tors. eta vs tors. theta energy: -38.756
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: 8
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -342.921090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.921090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.921090 (E_RNA)
where:
Base-Base interactions energy: -212.011
where: short stacking energy: -91.121
Base-Backbone interact. energy: -0.398
local terms energy: -130.511588
where:
bonds (distance) C4'-P energy: -38.327
bonds (distance) P-C4' energy: -38.057
flat angles C4'-P-C4' energy: -26.358
flat angles P-C4'-P energy: -17.210
tors. eta vs tors. theta energy: -10.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -336.246744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.246744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.246744 (E_RNA)
where:
Base-Base interactions energy: -198.097
where: short stacking energy: -98.658
Base-Backbone interact. energy: 0.285
local terms energy: -138.434409
where:
bonds (distance) C4'-P energy: -31.497
bonds (distance) P-C4' energy: -35.589
flat angles C4'-P-C4' energy: -28.068
flat angles P-C4'-P energy: -23.580
tors. eta vs tors. theta energy: -19.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -337.278348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.278348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.278348 (E_RNA)
where:
Base-Base interactions energy: -216.137
where: short stacking energy: -106.204
Base-Backbone interact. energy: 1.826
local terms energy: -122.967325
where:
bonds (distance) C4'-P energy: -31.364
bonds (distance) P-C4' energy: -28.872
flat angles C4'-P-C4' energy: -22.765
flat angles P-C4'-P energy: -18.399
tors. eta vs tors. theta energy: -21.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -305.893529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.893529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.893529 (E_RNA)
where:
Base-Base interactions energy: -181.152
where: short stacking energy: -87.595
Base-Backbone interact. energy: 1.466
local terms energy: -126.207403
where:
bonds (distance) C4'-P energy: -33.344
bonds (distance) P-C4' energy: -34.714
flat angles C4'-P-C4' energy: -21.650
flat angles P-C4'-P energy: -21.112
tors. eta vs tors. theta energy: -15.387
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: 7
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -167.279087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.279087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.279087 (E_RNA)
where:
Base-Base interactions energy: -45.061
where: short stacking energy: -45.021
Base-Backbone interact. energy: 0.816
local terms energy: -123.033863
where:
bonds (distance) C4'-P energy: -35.057
bonds (distance) P-C4' energy: -32.439
flat angles C4'-P-C4' energy: -33.846
flat angles P-C4'-P energy: -16.724
tors. eta vs tors. theta energy: -4.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -551.399324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.399324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.399324 (E_RNA)
where:
Base-Base interactions energy: -381.665
where: short stacking energy: -188.541
Base-Backbone interact. energy: 1.671
local terms energy: -171.405569
where:
bonds (distance) C4'-P energy: -32.030
bonds (distance) P-C4' energy: -30.116
flat angles C4'-P-C4' energy: -38.616
flat angles P-C4'-P energy: -17.785
tors. eta vs tors. theta energy: -52.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -522.712180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.712180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.712180 (E_RNA)
where:
Base-Base interactions energy: -349.182
where: short stacking energy: -163.282
Base-Backbone interact. energy: -0.780
local terms energy: -172.750068
where:
bonds (distance) C4'-P energy: -31.255
bonds (distance) P-C4' energy: -38.360
flat angles C4'-P-C4' energy: -34.767
flat angles P-C4'-P energy: -24.617
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: 153
Temperature: 1.000000
Total energy: -495.590963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.590963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.590963 (E_RNA)
where:
Base-Base interactions energy: -338.527
where: short stacking energy: -148.560
Base-Backbone interact. energy: -0.058
local terms energy: -157.006182
where:
bonds (distance) C4'-P energy: -33.447
bonds (distance) P-C4' energy: -33.446
flat angles C4'-P-C4' energy: -30.633
flat angles P-C4'-P energy: -22.900
tors. eta vs tors. theta energy: -36.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -455.538186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.538186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.538186 (E_RNA)
where:
Base-Base interactions energy: -302.997
where: short stacking energy: -144.810
Base-Backbone interact. energy: -0.094
local terms energy: -152.447749
where:
bonds (distance) C4'-P energy: -27.008
bonds (distance) P-C4' energy: -30.721
flat angles C4'-P-C4' energy: -34.517
flat angles P-C4'-P energy: -24.941
tors. eta vs tors. theta energy: -35.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -418.637781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.637781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.637781 (E_RNA)
where:
Base-Base interactions energy: -278.472
where: short stacking energy: -128.243
Base-Backbone interact. energy: 0.705
local terms energy: -140.870925
where:
bonds (distance) C4'-P energy: -21.825
bonds (distance) P-C4' energy: -33.202
flat angles C4'-P-C4' energy: -34.781
flat angles P-C4'-P energy: -23.602
tors. eta vs tors. theta energy: -27.461
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: 3
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -361.245175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.245175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.245175 (E_RNA)
where:
Base-Base interactions energy: -231.925
where: short stacking energy: -124.871
Base-Backbone interact. energy: 1.503
local terms energy: -130.823057
where:
bonds (distance) C4'-P energy: -28.854
bonds (distance) P-C4' energy: -33.875
flat angles C4'-P-C4' energy: -29.248
flat angles P-C4'-P energy: -19.049
tors. eta vs tors. theta energy: -19.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -356.108114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.108114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.108114 (E_RNA)
where:
Base-Base interactions energy: -218.414
where: short stacking energy: -108.483
Base-Backbone interact. energy: 2.081
local terms energy: -139.775318
where:
bonds (distance) C4'-P energy: -30.654
bonds (distance) P-C4' energy: -30.066
flat angles C4'-P-C4' energy: -38.229
flat angles P-C4'-P energy: -26.820
tors. eta vs tors. theta energy: -14.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -327.783685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.783685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.783685 (E_RNA)
where:
Base-Base interactions energy: -206.495
where: short stacking energy: -91.403
Base-Backbone interact. energy: 1.540
local terms energy: -122.828172
where:
bonds (distance) C4'-P energy: -28.383
bonds (distance) P-C4' energy: -33.049
flat angles C4'-P-C4' energy: -31.005
flat angles P-C4'-P energy: -13.522
tors. eta vs tors. theta energy: -16.869
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: 1
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -284.358741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.358741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.358741 (E_RNA)
where:
Base-Base interactions energy: -177.610
where: short stacking energy: -84.377
Base-Backbone interact. energy: -0.267
local terms energy: -106.482055
where:
bonds (distance) C4'-P energy: -25.470
bonds (distance) P-C4' energy: -33.830
flat angles C4'-P-C4' energy: -21.285
flat angles P-C4'-P energy: -17.724
tors. eta vs tors. theta energy: -8.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -158.851068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.851068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.851068 (E_RNA)
where:
Base-Base interactions energy: -60.503
where: short stacking energy: -55.127
Base-Backbone interact. energy: 0.558
local terms energy: -98.905693
where:
bonds (distance) C4'-P energy: -34.696
bonds (distance) P-C4' energy: -31.056
flat angles C4'-P-C4' energy: -22.436
flat angles P-C4'-P energy: -12.609
tors. eta vs tors. theta energy: 1.892
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: 1, replica: 5
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -573.555393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.555393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.555393 (E_RNA)
where:
Base-Base interactions energy: -381.338
where: short stacking energy: -200.665
Base-Backbone interact. energy: -0.086
local terms energy: -192.131610
where:
bonds (distance) C4'-P energy: -37.765
bonds (distance) P-C4' energy: -33.225
flat angles C4'-P-C4' energy: -40.764
flat angles P-C4'-P energy: -24.182
tors. eta vs tors. theta energy: -56.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -526.008681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.008681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.008681 (E_RNA)
where:
Base-Base interactions energy: -353.991
where: short stacking energy: -154.512
Base-Backbone interact. energy: -1.261
local terms energy: -170.756572
where:
bonds (distance) C4'-P energy: -37.945
bonds (distance) P-C4' energy: -26.899
flat angles C4'-P-C4' energy: -37.673
flat angles P-C4'-P energy: -23.726
tors. eta vs tors. theta energy: -44.513
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: 4
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -487.071138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.071138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.071138 (E_RNA)
where:
Base-Base interactions energy: -314.977
where: short stacking energy: -155.625
Base-Backbone interact. energy: -1.099
local terms energy: -170.994841
where:
bonds (distance) C4'-P energy: -36.193
bonds (distance) P-C4' energy: -34.797
flat angles C4'-P-C4' energy: -37.573
flat angles P-C4'-P energy: -23.603
tors. eta vs tors. theta energy: -38.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -461.564724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.564724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.564724 (E_RNA)
where:
Base-Base interactions energy: -318.001
where: short stacking energy: -136.489
Base-Backbone interact. energy: -0.832
local terms energy: -142.731608
where:
bonds (distance) C4'-P energy: -20.990
bonds (distance) P-C4' energy: -27.127
flat angles C4'-P-C4' energy: -37.444
flat angles P-C4'-P energy: -26.303
tors. eta vs tors. theta energy: -30.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -402.706210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.706210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.706210 (E_RNA)
where:
Base-Base interactions energy: -263.287
where: short stacking energy: -126.551
Base-Backbone interact. energy: -0.439
local terms energy: -138.980400
where:
bonds (distance) C4'-P energy: -29.928
bonds (distance) P-C4' energy: -33.186
flat angles C4'-P-C4' energy: -32.571
flat angles P-C4'-P energy: -12.949
tors. eta vs tors. theta energy: -30.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -353.591974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.591974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.591974 (E_RNA)
where:
Base-Base interactions energy: -212.516
where: short stacking energy: -109.393
Base-Backbone interact. energy: 1.402
local terms energy: -142.477734
where:
bonds (distance) C4'-P energy: -32.146
bonds (distance) P-C4' energy: -33.773
flat angles C4'-P-C4' energy: -32.641
flat angles P-C4'-P energy: -25.345
tors. eta vs tors. theta energy: -18.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -316.088640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.088640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.088640 (E_RNA)
where:
Base-Base interactions energy: -191.194
where: short stacking energy: -96.009
Base-Backbone interact. energy: -0.885
local terms energy: -124.010272
where:
bonds (distance) C4'-P energy: -25.894
bonds (distance) P-C4' energy: -30.288
flat angles C4'-P-C4' energy: -33.466
flat angles P-C4'-P energy: -22.346
tors. eta vs tors. theta energy: -12.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -323.782550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.782550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.782550 (E_RNA)
where:
Base-Base interactions energy: -198.578
where: short stacking energy: -101.815
Base-Backbone interact. energy: -0.481
local terms energy: -124.723924
where:
bonds (distance) C4'-P energy: -29.342
bonds (distance) P-C4' energy: -32.564
flat angles C4'-P-C4' energy: -31.245
flat angles P-C4'-P energy: -13.674
tors. eta vs tors. theta energy: -17.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -300.704583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.704583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.704583 (E_RNA)
where:
Base-Base interactions energy: -203.001
where: short stacking energy: -116.158
Base-Backbone interact. energy: 0.851
local terms energy: -98.554687
where:
bonds (distance) C4'-P energy: -12.804
bonds (distance) P-C4' energy: -23.875
flat angles C4'-P-C4' energy: -30.891
flat angles P-C4'-P energy: -12.062
tors. eta vs tors. theta energy: -18.922
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: 10, replica: 7
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -162.276463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.276463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.276463 (E_RNA)
where:
Base-Base interactions energy: -62.422
where: short stacking energy: -55.576
Base-Backbone interact. energy: 0.091
local terms energy: -99.945515
where:
bonds (distance) C4'-P energy: -28.363
bonds (distance) P-C4' energy: -23.582
flat angles C4'-P-C4' energy: -27.114
flat angles P-C4'-P energy: -16.093
tors. eta vs tors. theta energy: -4.794
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: 5
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -575.790426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.790426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.790426 (E_RNA)
where:
Base-Base interactions energy: -377.654
where: short stacking energy: -198.794
Base-Backbone interact. energy: -0.014
local terms energy: -198.122576
where:
bonds (distance) C4'-P energy: -37.528
bonds (distance) P-C4' energy: -33.291
flat angles C4'-P-C4' energy: -41.017
flat angles P-C4'-P energy: -28.170
tors. eta vs tors. theta energy: -58.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -536.517610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.517610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.517610 (E_RNA)
where:
Base-Base interactions energy: -362.780
where: short stacking energy: -170.620
Base-Backbone interact. energy: -0.582
local terms energy: -173.156246
where:
bonds (distance) C4'-P energy: -31.173
bonds (distance) P-C4' energy: -33.629
flat angles C4'-P-C4' energy: -38.775
flat angles P-C4'-P energy: -23.762
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: 4
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -500.711525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.711525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.711525 (E_RNA)
where:
Base-Base interactions energy: -340.269
where: short stacking energy: -166.340
Base-Backbone interact. energy: 0.015
local terms energy: -160.457652
where:
bonds (distance) C4'-P energy: -28.553
bonds (distance) P-C4' energy: -33.220
flat angles C4'-P-C4' energy: -34.470
flat angles P-C4'-P energy: -24.468
tors. eta vs tors. theta energy: -39.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -470.465789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.465789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.465789 (E_RNA)
where:
Base-Base interactions energy: -322.562
where: short stacking energy: -149.420
Base-Backbone interact. energy: -0.295
local terms energy: -147.608942
where:
bonds (distance) C4'-P energy: -30.522
bonds (distance) P-C4' energy: -33.951
flat angles C4'-P-C4' energy: -29.467
flat angles P-C4'-P energy: -15.641
tors. eta vs tors. theta energy: -38.028
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: 2
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -410.251900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.251900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.251900 (E_RNA)
where:
Base-Base interactions energy: -268.821
where: short stacking energy: -126.588
Base-Backbone interact. energy: -0.542
local terms energy: -140.888719
where:
bonds (distance) C4'-P energy: -36.412
bonds (distance) P-C4' energy: -34.999
flat angles C4'-P-C4' energy: -26.651
flat angles P-C4'-P energy: -19.461
tors. eta vs tors. theta energy: -23.365
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: 10
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -335.725969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.725969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.725969 (E_RNA)
where:
Base-Base interactions energy: -195.554
where: short stacking energy: -96.965
Base-Backbone interact. energy: -0.755
local terms energy: -139.417108
where:
bonds (distance) C4'-P energy: -35.565
bonds (distance) P-C4' energy: -33.467
flat angles C4'-P-C4' energy: -27.389
flat angles P-C4'-P energy: -22.018
tors. eta vs tors. theta energy: -20.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -336.701102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.701102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.701102 (E_RNA)
where:
Base-Base interactions energy: -202.820
where: short stacking energy: -90.259
Base-Backbone interact. energy: -1.040
local terms energy: -132.841994
where:
bonds (distance) C4'-P energy: -33.228
bonds (distance) P-C4' energy: -32.654
flat angles C4'-P-C4' energy: -32.668
flat angles P-C4'-P energy: -19.155
tors. eta vs tors. theta energy: -15.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -316.827091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.827091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.827091 (E_RNA)
where:
Base-Base interactions energy: -193.427
where: short stacking energy: -89.254
Base-Backbone interact. energy: -1.187
local terms energy: -122.213606
where:
bonds (distance) C4'-P energy: -27.484
bonds (distance) P-C4' energy: -29.895
flat angles C4'-P-C4' energy: -33.969
flat angles P-C4'-P energy: -12.342
tors. eta vs tors. theta energy: -18.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -308.050761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.050761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.050761 (E_RNA)
where:
Base-Base interactions energy: -184.718
where: short stacking energy: -92.885
Base-Backbone interact. energy: -0.554
local terms energy: -122.778671
where:
bonds (distance) C4'-P energy: -26.291
bonds (distance) P-C4' energy: -25.512
flat angles C4'-P-C4' energy: -28.226
flat angles P-C4'-P energy: -25.505
tors. eta vs tors. theta energy: -17.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -166.596853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.596853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.596853 (E_RNA)
where:
Base-Base interactions energy: -64.165
where: short stacking energy: -60.540
Base-Backbone interact. energy: -0.654
local terms energy: -101.777237
where:
bonds (distance) C4'-P energy: -20.875
bonds (distance) P-C4' energy: -35.406
flat angles C4'-P-C4' energy: -31.266
flat angles P-C4'-P energy: -12.652
tors. eta vs tors. theta energy: -1.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -567.800773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.800773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.800773 (E_RNA)
where:
Base-Base interactions energy: -374.903
where: short stacking energy: -193.411
Base-Backbone interact. energy: -0.054
local terms energy: -192.843524
where:
bonds (distance) C4'-P energy: -34.450
bonds (distance) P-C4' energy: -36.017
flat angles C4'-P-C4' energy: -34.265
flat angles P-C4'-P energy: -30.005
tors. eta vs tors. theta energy: -58.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -530.469356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.469356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.469356 (E_RNA)
where:
Base-Base interactions energy: -365.616
where: short stacking energy: -163.818
Base-Backbone interact. energy: -0.845
local terms energy: -164.008506
where:
bonds (distance) C4'-P energy: -31.973
bonds (distance) P-C4' energy: -32.063
flat angles C4'-P-C4' energy: -30.766
flat angles P-C4'-P energy: -26.102
tors. eta vs tors. theta energy: -43.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -479.937553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.937553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.937553 (E_RNA)
where:
Base-Base interactions energy: -315.448
where: short stacking energy: -149.706
Base-Backbone interact. energy: -0.852
local terms energy: -163.638223
where:
bonds (distance) C4'-P energy: -30.399
bonds (distance) P-C4' energy: -35.819
flat angles C4'-P-C4' energy: -38.406
flat angles P-C4'-P energy: -22.664
tors. eta vs tors. theta energy: -36.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -447.025880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.025880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.025880 (E_RNA)
where:
Base-Base interactions energy: -307.560
where: short stacking energy: -141.738
Base-Backbone interact. energy: -0.792
local terms energy: -138.674218
where:
bonds (distance) C4'-P energy: -26.770
bonds (distance) P-C4' energy: -33.175
flat angles C4'-P-C4' energy: -27.121
flat angles P-C4'-P energy: -21.146
tors. eta vs tors. theta energy: -30.463
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: 2
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -414.768048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.768048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.768048 (E_RNA)
where:
Base-Base interactions energy: -265.108
where: short stacking energy: -132.511
Base-Backbone interact. energy: 0.237
local terms energy: -149.897129
where:
bonds (distance) C4'-P energy: -37.069
bonds (distance) P-C4' energy: -32.726
flat angles C4'-P-C4' energy: -35.034
flat angles P-C4'-P energy: -20.799
tors. eta vs tors. theta energy: -24.269
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: 10
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -349.870120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.870120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.870120 (E_RNA)
where:
Base-Base interactions energy: -196.771
where: short stacking energy: -115.364
Base-Backbone interact. energy: -0.237
local terms energy: -152.862075
where:
bonds (distance) C4'-P energy: -34.139
bonds (distance) P-C4' energy: -28.270
flat angles C4'-P-C4' energy: -36.860
flat angles P-C4'-P energy: -17.973
tors. eta vs tors. theta energy: -35.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -332.424407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.424407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.424407 (E_RNA)
where:
Base-Base interactions energy: -194.915
where: short stacking energy: -94.447
Base-Backbone interact. energy: -0.282
local terms energy: -137.227072
where:
bonds (distance) C4'-P energy: -31.597
bonds (distance) P-C4' energy: -37.567
flat angles C4'-P-C4' energy: -30.950
flat angles P-C4'-P energy: -19.938
tors. eta vs tors. theta energy: -17.175
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: 3
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -343.434798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.434798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.434798 (E_RNA)
where:
Base-Base interactions energy: -216.743
where: short stacking energy: -102.381
Base-Backbone interact. energy: 2.227
local terms energy: -128.918634
where:
bonds (distance) C4'-P energy: -25.019
bonds (distance) P-C4' energy: -27.732
flat angles C4'-P-C4' energy: -35.310
flat angles P-C4'-P energy: -18.157
tors. eta vs tors. theta energy: -22.701
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: 8
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -322.631076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.631076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.631076 (E_RNA)
where:
Base-Base interactions energy: -198.573
where: short stacking energy: -109.541
Base-Backbone interact. energy: -0.393
local terms energy: -123.665230
where:
bonds (distance) C4'-P energy: -34.115
bonds (distance) P-C4' energy: -36.280
flat angles C4'-P-C4' energy: -23.845
flat angles P-C4'-P energy: -15.683
tors. eta vs tors. theta energy: -13.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -169.628000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.628000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.628000 (E_RNA)
where:
Base-Base interactions energy: -69.882
where: short stacking energy: -63.880
Base-Backbone interact. energy: 4.325
local terms energy: -104.071394
where:
bonds (distance) C4'-P energy: -24.994
bonds (distance) P-C4' energy: -29.846
flat angles C4'-P-C4' energy: -31.150
flat angles P-C4'-P energy: -16.753
tors. eta vs tors. theta energy: -1.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -562.428736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.428736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.428736 (E_RNA)
where:
Base-Base interactions energy: -369.401
where: short stacking energy: -178.166
Base-Backbone interact. energy: -0.042
local terms energy: -192.985939
where:
bonds (distance) C4'-P energy: -32.357
bonds (distance) P-C4' energy: -39.775
flat angles C4'-P-C4' energy: -37.053
flat angles P-C4'-P energy: -31.324
tors. eta vs tors. theta energy: -52.476
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: 6
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -541.795295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.795295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.795295 (E_RNA)
where:
Base-Base interactions energy: -365.596
where: short stacking energy: -169.662
Base-Backbone interact. energy: -0.203
local terms energy: -175.995933
where:
bonds (distance) C4'-P energy: -31.946
bonds (distance) P-C4' energy: -33.637
flat angles C4'-P-C4' energy: -40.946
flat angles P-C4'-P energy: -26.816
tors. eta vs tors. theta energy: -42.651
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: 3, replica: 4
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -480.187550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.187550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.187550 (E_RNA)
where:
Base-Base interactions energy: -306.710
where: short stacking energy: -143.272
Base-Backbone interact. energy: -2.320
local terms energy: -171.157521
where:
bonds (distance) C4'-P energy: -38.508
bonds (distance) P-C4' energy: -32.839
flat angles C4'-P-C4' energy: -33.236
flat angles P-C4'-P energy: -27.729
tors. eta vs tors. theta energy: -38.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -457.100465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.100465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.100465 (E_RNA)
where:
Base-Base interactions energy: -295.130
where: short stacking energy: -149.998
Base-Backbone interact. energy: -0.713
local terms energy: -161.257277
where:
bonds (distance) C4'-P energy: -34.569
bonds (distance) P-C4' energy: -34.392
flat angles C4'-P-C4' energy: -36.143
flat angles P-C4'-P energy: -25.732
tors. eta vs tors. theta energy: -30.421
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: 9
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -430.194116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.194116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.194116 (E_RNA)
where:
Base-Base interactions energy: -284.677
where: short stacking energy: -128.842
Base-Backbone interact. energy: -0.457
local terms energy: -145.059927
where:
bonds (distance) C4'-P energy: -31.534
bonds (distance) P-C4' energy: -32.306
flat angles C4'-P-C4' energy: -32.337
flat angles P-C4'-P energy: -20.015
tors. eta vs tors. theta energy: -28.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -348.565322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.565322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.565322 (E_RNA)
where:
Base-Base interactions energy: -218.426
where: short stacking energy: -108.279
Base-Backbone interact. energy: -1.283
local terms energy: -128.855799
where:
bonds (distance) C4'-P energy: -19.499
bonds (distance) P-C4' energy: -35.502
flat angles C4'-P-C4' energy: -29.653
flat angles P-C4'-P energy: -25.075
tors. eta vs tors. theta energy: -19.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -316.978298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.978298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.978298 (E_RNA)
where:
Base-Base interactions energy: -194.044
where: short stacking energy: -87.384
Base-Backbone interact. energy: -0.657
local terms energy: -122.277631
where:
bonds (distance) C4'-P energy: -32.999
bonds (distance) P-C4' energy: -33.562
flat angles C4'-P-C4' energy: -31.737
flat angles P-C4'-P energy: -18.059
tors. eta vs tors. theta energy: -5.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -349.853055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.853055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.853055 (E_RNA)
where:
Base-Base interactions energy: -223.582
where: short stacking energy: -103.447
Base-Backbone interact. energy: -0.840
local terms energy: -125.431322
where:
bonds (distance) C4'-P energy: -31.889
bonds (distance) P-C4' energy: -27.159
flat angles C4'-P-C4' energy: -34.524
flat angles P-C4'-P energy: -17.597
tors. eta vs tors. theta energy: -14.262
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: 8
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -307.024680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.024680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.024680 (E_RNA)
where:
Base-Base interactions energy: -184.965
where: short stacking energy: -93.979
Base-Backbone interact. energy: -0.991
local terms energy: -121.068644
where:
bonds (distance) C4'-P energy: -21.759
bonds (distance) P-C4' energy: -31.782
flat angles C4'-P-C4' energy: -32.776
flat angles P-C4'-P energy: -16.371
tors. eta vs tors. theta energy: -18.380
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: 7
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -151.724780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.724780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.724780 (E_RNA)
where:
Base-Base interactions energy: -52.102
where: short stacking energy: -51.310
Base-Backbone interact. energy: -0.314
local terms energy: -99.308299
where:
bonds (distance) C4'-P energy: -21.270
bonds (distance) P-C4' energy: -36.340
flat angles C4'-P-C4' energy: -26.020
flat angles P-C4'-P energy: -16.580
tors. eta vs tors. theta energy: 0.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -545.226286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.226286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.226286 (E_RNA)
where:
Base-Base interactions energy: -372.348
where: short stacking energy: -182.865
Base-Backbone interact. energy: -0.302
local terms energy: -172.576355
where:
bonds (distance) C4'-P energy: -35.558
bonds (distance) P-C4' energy: -33.784
flat angles C4'-P-C4' energy: -32.185
flat angles P-C4'-P energy: -26.096
tors. eta vs tors. theta energy: -44.954
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: 5
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -553.148510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.148510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.148510 (E_RNA)
where:
Base-Base interactions energy: -373.985
where: short stacking energy: -184.826
Base-Backbone interact. energy: -0.113
local terms energy: -179.051035
where:
bonds (distance) C4'-P energy: -32.196
bonds (distance) P-C4' energy: -25.324
flat angles C4'-P-C4' energy: -39.947
flat angles P-C4'-P energy: -30.695
tors. eta vs tors. theta energy: -50.889
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: 158
Temperature: 1.000000
Total energy: -448.591701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.591701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.591701 (E_RNA)
where:
Base-Base interactions energy: -287.580
where: short stacking energy: -134.140
Base-Backbone interact. energy: -0.538
local terms energy: -160.474222
where:
bonds (distance) C4'-P energy: -28.199
bonds (distance) P-C4' energy: -33.153
flat angles C4'-P-C4' energy: -35.177
flat angles P-C4'-P energy: -26.221
tors. eta vs tors. theta energy: -37.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -461.488799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.488799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.488799 (E_RNA)
where:
Base-Base interactions energy: -300.873
where: short stacking energy: -138.477
Base-Backbone interact. energy: 0.068
local terms energy: -160.683571
where:
bonds (distance) C4'-P energy: -29.994
bonds (distance) P-C4' energy: -28.186
flat angles C4'-P-C4' energy: -36.142
flat angles P-C4'-P energy: -26.747
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: 5, replica: 9
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -418.668162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.668162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.668162 (E_RNA)
where:
Base-Base interactions energy: -290.341
where: short stacking energy: -130.510
Base-Backbone interact. energy: -0.253
local terms energy: -128.074487
where:
bonds (distance) C4'-P energy: -29.648
bonds (distance) P-C4' energy: -30.646
flat angles C4'-P-C4' energy: -26.673
flat angles P-C4'-P energy: -14.074
tors. eta vs tors. theta energy: -27.033
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: 1
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -373.607978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.607978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.607978 (E_RNA)
where:
Base-Base interactions energy: -240.434
where: short stacking energy: -101.990
Base-Backbone interact. energy: 1.073
local terms energy: -134.246954
where:
bonds (distance) C4'-P energy: -34.746
bonds (distance) P-C4' energy: -31.322
flat angles C4'-P-C4' energy: -31.474
flat angles P-C4'-P energy: -23.278
tors. eta vs tors. theta energy: -13.426
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: 7, replica: 3
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -379.787980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.787980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.787980 (E_RNA)
where:
Base-Base interactions energy: -248.494
where: short stacking energy: -116.515
Base-Backbone interact. energy: -1.086
local terms energy: -130.208411
where:
bonds (distance) C4'-P energy: -28.537
bonds (distance) P-C4' energy: -36.898
flat angles C4'-P-C4' energy: -27.674
flat angles P-C4'-P energy: -16.631
tors. eta vs tors. theta energy: -20.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -345.750592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.750592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.750592 (E_RNA)
where:
Base-Base interactions energy: -211.829
where: short stacking energy: -119.838
Base-Backbone interact. energy: 1.677
local terms energy: -135.597797
where:
bonds (distance) C4'-P energy: -29.098
bonds (distance) P-C4' energy: -30.752
flat angles C4'-P-C4' energy: -33.164
flat angles P-C4'-P energy: -15.967
tors. eta vs tors. theta energy: -26.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -303.290287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.290287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.290287 (E_RNA)
where:
Base-Base interactions energy: -182.412
where: short stacking energy: -88.851
Base-Backbone interact. energy: 0.725
local terms energy: -121.602884
where:
bonds (distance) C4'-P energy: -28.350
bonds (distance) P-C4' energy: -28.241
flat angles C4'-P-C4' energy: -32.565
flat angles P-C4'-P energy: -14.989
tors. eta vs tors. theta energy: -17.458
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: 7
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -178.484059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.484059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.484059 (E_RNA)
where:
Base-Base interactions energy: -79.854
where: short stacking energy: -55.824
Base-Backbone interact. energy: -0.518
local terms energy: -98.111202
where:
bonds (distance) C4'-P energy: -28.941
bonds (distance) P-C4' energy: -22.340
flat angles C4'-P-C4' energy: -27.093
flat angles P-C4'-P energy: -12.722
tors. eta vs tors. theta energy: -7.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -559.883880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.883880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.883880 (E_RNA)
where:
Base-Base interactions energy: -372.017
where: short stacking energy: -181.207
Base-Backbone interact. energy: -1.374
local terms energy: -186.492851
where:
bonds (distance) C4'-P energy: -35.893
bonds (distance) P-C4' energy: -32.883
flat angles C4'-P-C4' energy: -39.444
flat angles P-C4'-P energy: -29.530
tors. eta vs tors. theta energy: -48.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -558.543675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.543675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.543675 (E_RNA)
where:
Base-Base interactions energy: -373.748
where: short stacking energy: -178.291
Base-Backbone interact. energy: -0.106
local terms energy: -184.690238
where:
bonds (distance) C4'-P energy: -37.499
bonds (distance) P-C4' energy: -28.997
flat angles C4'-P-C4' energy: -40.080
flat angles P-C4'-P energy: -26.144
tors. eta vs tors. theta energy: -51.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -454.883136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.883136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.883136 (E_RNA)
where:
Base-Base interactions energy: -288.728
where: short stacking energy: -132.344
Base-Backbone interact. energy: -1.224
local terms energy: -164.931384
where:
bonds (distance) C4'-P energy: -33.802
bonds (distance) P-C4' energy: -33.797
flat angles C4'-P-C4' energy: -34.718
flat angles P-C4'-P energy: -28.973
tors. eta vs tors. theta energy: -33.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -476.305697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.305697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.305697 (E_RNA)
where:
Base-Base interactions energy: -320.186
where: short stacking energy: -142.156
Base-Backbone interact. energy: -0.816
local terms energy: -155.304132
where:
bonds (distance) C4'-P energy: -31.604
bonds (distance) P-C4' energy: -34.394
flat angles C4'-P-C4' energy: -34.976
flat angles P-C4'-P energy: -22.169
tors. eta vs tors. theta energy: -32.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -419.248679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.248679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.248679 (E_RNA)
where:
Base-Base interactions energy: -279.409
where: short stacking energy: -124.726
Base-Backbone interact. energy: -0.451
local terms energy: -139.388491
where:
bonds (distance) C4'-P energy: -26.419
bonds (distance) P-C4' energy: -32.286
flat angles C4'-P-C4' energy: -27.636
flat angles P-C4'-P energy: -25.958
tors. eta vs tors. theta energy: -27.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -384.440577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.440577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.440577 (E_RNA)
where:
Base-Base interactions energy: -246.454
where: short stacking energy: -115.458
Base-Backbone interact. energy: -1.474
local terms energy: -136.512766
where:
bonds (distance) C4'-P energy: -30.481
bonds (distance) P-C4' energy: -23.676
flat angles C4'-P-C4' energy: -34.173
flat angles P-C4'-P energy: -19.881
tors. eta vs tors. theta energy: -28.302
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: 1
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -348.950630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.950630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.950630 (E_RNA)
where:
Base-Base interactions energy: -211.782
where: short stacking energy: -109.231
Base-Backbone interact. energy: -0.248
local terms energy: -136.919677
where:
bonds (distance) C4'-P energy: -31.403
bonds (distance) P-C4' energy: -32.540
flat angles C4'-P-C4' energy: -34.043
flat angles P-C4'-P energy: -16.973
tors. eta vs tors. theta energy: -21.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -315.472201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.472201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.472201 (E_RNA)
where:
Base-Base interactions energy: -185.016
where: short stacking energy: -90.766
Base-Backbone interact. energy: 0.832
local terms energy: -131.287630
where:
bonds (distance) C4'-P energy: -31.354
bonds (distance) P-C4' energy: -31.664
flat angles C4'-P-C4' energy: -32.944
flat angles P-C4'-P energy: -16.361
tors. eta vs tors. theta energy: -18.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -328.679125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.679125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.679125 (E_RNA)
where:
Base-Base interactions energy: -209.112
where: short stacking energy: -89.577
Base-Backbone interact. energy: -0.887
local terms energy: -118.680203
where:
bonds (distance) C4'-P energy: -30.573
bonds (distance) P-C4' energy: -34.256
flat angles C4'-P-C4' energy: -27.451
flat angles P-C4'-P energy: -12.508
tors. eta vs tors. theta energy: -13.892
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: 7
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -161.973589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.973589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.973589 (E_RNA)
where:
Base-Base interactions energy: -55.298
where: short stacking energy: -51.421
Base-Backbone interact. energy: -0.192
local terms energy: -106.484139
where:
bonds (distance) C4'-P energy: -21.446
bonds (distance) P-C4' energy: -34.105
flat angles C4'-P-C4' energy: -24.633
flat angles P-C4'-P energy: -23.740
tors. eta vs tors. theta energy: -2.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -586.273596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.273596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.273596 (E_RNA)
where:
Base-Base interactions energy: -381.333
where: short stacking energy: -202.145
Base-Backbone interact. energy: -0.212
local terms energy: -204.728424
where:
bonds (distance) C4'-P energy: -34.362
bonds (distance) P-C4' energy: -37.164
flat angles C4'-P-C4' energy: -42.097
flat angles P-C4'-P energy: -31.681
tors. eta vs tors. theta energy: -59.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -538.028066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.028066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.028066 (E_RNA)
where:
Base-Base interactions energy: -364.429
where: short stacking energy: -175.805
Base-Backbone interact. energy: 0.257
local terms energy: -173.855917
where:
bonds (distance) C4'-P energy: -29.948
bonds (distance) P-C4' energy: -39.287
flat angles C4'-P-C4' energy: -34.752
flat angles P-C4'-P energy: -23.449
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: 3, replica: 2
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -478.716906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.716906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.716906 (E_RNA)
where:
Base-Base interactions energy: -317.226
where: short stacking energy: -145.268
Base-Backbone interact. energy: -0.076
local terms energy: -161.415481
where:
bonds (distance) C4'-P energy: -32.933
bonds (distance) P-C4' energy: -26.730
flat angles C4'-P-C4' energy: -37.746
flat angles P-C4'-P energy: -26.807
tors. eta vs tors. theta energy: -37.199
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: 4
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -451.793186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.793186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.793186 (E_RNA)
where:
Base-Base interactions energy: -291.402
where: short stacking energy: -135.125
Base-Backbone interact. energy: -1.073
local terms energy: -159.317505
where:
bonds (distance) C4'-P energy: -34.722
bonds (distance) P-C4' energy: -33.739
flat angles C4'-P-C4' energy: -26.960
flat angles P-C4'-P energy: -28.732
tors. eta vs tors. theta energy: -35.164
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: 3
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -399.117867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.117867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.117867 (E_RNA)
where:
Base-Base interactions energy: -254.613
where: short stacking energy: -127.250
Base-Backbone interact. energy: -2.137
local terms energy: -142.367730
where:
bonds (distance) C4'-P energy: -24.714
bonds (distance) P-C4' energy: -35.963
flat angles C4'-P-C4' energy: -33.378
flat angles P-C4'-P energy: -16.241
tors. eta vs tors. theta energy: -32.071
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: 9
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -386.638490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.638490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.638490 (E_RNA)
where:
Base-Base interactions energy: -245.191
where: short stacking energy: -125.274
Base-Backbone interact. energy: -0.782
local terms energy: -140.665129
where:
bonds (distance) C4'-P energy: -27.548
bonds (distance) P-C4' energy: -26.202
flat angles C4'-P-C4' energy: -34.864
flat angles P-C4'-P energy: -23.536
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: 8
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -385.282323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.282323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.282323 (E_RNA)
where:
Base-Base interactions energy: -232.492
where: short stacking energy: -115.226
Base-Backbone interact. energy: -0.516
local terms energy: -152.274863
where:
bonds (distance) C4'-P energy: -36.112
bonds (distance) P-C4' energy: -33.667
flat angles C4'-P-C4' energy: -30.079
flat angles P-C4'-P energy: -22.738
tors. eta vs tors. theta energy: -29.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -315.031631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.031631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.031631 (E_RNA)
where:
Base-Base interactions energy: -170.326
where: short stacking energy: -81.691
Base-Backbone interact. energy: -0.988
local terms energy: -143.717045
where:
bonds (distance) C4'-P energy: -31.947
bonds (distance) P-C4' energy: -32.619
flat angles C4'-P-C4' energy: -31.718
flat angles P-C4'-P energy: -21.937
tors. eta vs tors. theta energy: -25.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -271.766650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.766650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.766650 (E_RNA)
where:
Base-Base interactions energy: -184.725
where: short stacking energy: -78.013
Base-Backbone interact. energy: -0.787
local terms energy: -86.255007
where:
bonds (distance) C4'-P energy: -30.472
bonds (distance) P-C4' energy: -27.866
flat angles C4'-P-C4' energy: -12.788
flat angles P-C4'-P energy: -14.258
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: 10, replica: 7
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -158.834749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.834749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.834749 (E_RNA)
where:
Base-Base interactions energy: -56.843
where: short stacking energy: -52.256
Base-Backbone interact. energy: -0.411
local terms energy: -101.580593
where:
bonds (distance) C4'-P energy: -29.909
bonds (distance) P-C4' energy: -28.466
flat angles C4'-P-C4' energy: -22.664
flat angles P-C4'-P energy: -19.001
tors. eta vs tors. theta energy: -1.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -570.171950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.171950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.171950 (E_RNA)
where:
Base-Base interactions energy: -376.140
where: short stacking energy: -192.295
Base-Backbone interact. energy: -0.157
local terms energy: -193.874705
where:
bonds (distance) C4'-P energy: -38.820
bonds (distance) P-C4' energy: -32.612
flat angles C4'-P-C4' energy: -33.816
flat angles P-C4'-P energy: -30.719
tors. eta vs tors. theta energy: -57.907
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: 6
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -542.072106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.072106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.072106 (E_RNA)
where:
Base-Base interactions energy: -374.348
where: short stacking energy: -174.492
Base-Backbone interact. energy: -1.300
local terms energy: -166.424307
where:
bonds (distance) C4'-P energy: -29.120
bonds (distance) P-C4' energy: -33.570
flat angles C4'-P-C4' energy: -34.095
flat angles P-C4'-P energy: -20.947
tors. eta vs tors. theta energy: -48.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -474.312257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.312257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.312257 (E_RNA)
where:
Base-Base interactions energy: -309.485
where: short stacking energy: -153.783
Base-Backbone interact. energy: 1.423
local terms energy: -166.249969
where:
bonds (distance) C4'-P energy: -29.772
bonds (distance) P-C4' energy: -36.641
flat angles C4'-P-C4' energy: -42.323
flat angles P-C4'-P energy: -22.775
tors. eta vs tors. theta energy: -34.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -453.022283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.022283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.022283 (E_RNA)
where:
Base-Base interactions energy: -308.145
where: short stacking energy: -127.937
Base-Backbone interact. energy: 2.901
local terms energy: -147.777500
where:
bonds (distance) C4'-P energy: -37.475
bonds (distance) P-C4' energy: -31.505
flat angles C4'-P-C4' energy: -28.921
flat angles P-C4'-P energy: -18.854
tors. eta vs tors. theta energy: -31.022
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: 3
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -420.853584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.853584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.853584 (E_RNA)
where:
Base-Base interactions energy: -269.847
where: short stacking energy: -149.680
Base-Backbone interact. energy: 0.220
local terms energy: -151.226215
where:
bonds (distance) C4'-P energy: -34.980
bonds (distance) P-C4' energy: -17.715
flat angles C4'-P-C4' energy: -34.319
flat angles P-C4'-P energy: -20.725
tors. eta vs tors. theta energy: -43.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -377.035158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.035158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.035158 (E_RNA)
where:
Base-Base interactions energy: -225.431
where: short stacking energy: -119.979
Base-Backbone interact. energy: -0.243
local terms energy: -151.361103
where:
bonds (distance) C4'-P energy: -33.476
bonds (distance) P-C4' energy: -29.869
flat angles C4'-P-C4' energy: -33.090
flat angles P-C4'-P energy: -20.531
tors. eta vs tors. theta energy: -34.395
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: 7, replica: 8
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -348.153805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.153805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.153805 (E_RNA)
where:
Base-Base interactions energy: -219.989
where: short stacking energy: -115.294
Base-Backbone interact. energy: -0.206
local terms energy: -127.959129
where:
bonds (distance) C4'-P energy: -29.907
bonds (distance) P-C4' energy: -29.248
flat angles C4'-P-C4' energy: -27.018
flat angles P-C4'-P energy: -24.884
tors. eta vs tors. theta energy: -16.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -333.112890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.112890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.112890 (E_RNA)
where:
Base-Base interactions energy: -212.780
where: short stacking energy: -98.678
Base-Backbone interact. energy: -0.779
local terms energy: -119.553570
where:
bonds (distance) C4'-P energy: -19.133
bonds (distance) P-C4' energy: -33.418
flat angles C4'-P-C4' energy: -33.947
flat angles P-C4'-P energy: -15.811
tors. eta vs tors. theta energy: -17.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -313.716538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.716538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.716538 (E_RNA)
where:
Base-Base interactions energy: -204.623
where: short stacking energy: -81.647
Base-Backbone interact. energy: -1.071
local terms energy: -108.022465
where:
bonds (distance) C4'-P energy: -25.817
bonds (distance) P-C4' energy: -29.438
flat angles C4'-P-C4' energy: -22.130
flat angles P-C4'-P energy: -19.293
tors. eta vs tors. theta energy: -11.345
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: 7
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -178.337334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.337334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.337334 (E_RNA)
where:
Base-Base interactions energy: -75.859
where: short stacking energy: -73.638
Base-Backbone interact. energy: -0.051
local terms energy: -102.427407
where:
bonds (distance) C4'-P energy: -22.164
bonds (distance) P-C4' energy: -27.299
flat angles C4'-P-C4' energy: -25.111
flat angles P-C4'-P energy: -17.553
tors. eta vs tors. theta energy: -10.300
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: 5
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -577.241581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.241581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.241581 (E_RNA)
where:
Base-Base interactions energy: -392.067
where: short stacking energy: -193.319
Base-Backbone interact. energy: -0.059
local terms energy: -185.116170
where:
bonds (distance) C4'-P energy: -29.783
bonds (distance) P-C4' energy: -32.938
flat angles C4'-P-C4' energy: -38.299
flat angles P-C4'-P energy: -26.758
tors. eta vs tors. theta energy: -57.338
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: 6
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -530.462320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.462320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.462320 (E_RNA)
where:
Base-Base interactions energy: -366.419
where: short stacking energy: -163.703
Base-Backbone interact. energy: 0.898
local terms energy: -164.941353
where:
bonds (distance) C4'-P energy: -30.510
bonds (distance) P-C4' energy: -32.824
flat angles C4'-P-C4' energy: -32.267
flat angles P-C4'-P energy: -23.320
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: 3, replica: 4
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -480.248987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.248987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.248987 (E_RNA)
where:
Base-Base interactions energy: -306.183
where: short stacking energy: -143.616
Base-Backbone interact. energy: -0.639
local terms energy: -173.427159
where:
bonds (distance) C4'-P energy: -37.962
bonds (distance) P-C4' energy: -36.200
flat angles C4'-P-C4' energy: -41.056
flat angles P-C4'-P energy: -24.973
tors. eta vs tors. theta energy: -33.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -433.590782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.590782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.590782 (E_RNA)
where:
Base-Base interactions energy: -270.327
where: short stacking energy: -132.782
Base-Backbone interact. energy: 0.124
local terms energy: -163.387380
where:
bonds (distance) C4'-P energy: -36.692
bonds (distance) P-C4' energy: -29.995
flat angles C4'-P-C4' energy: -34.686
flat angles P-C4'-P energy: -27.270
tors. eta vs tors. theta energy: -34.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -420.047785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.047785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.047785 (E_RNA)
where:
Base-Base interactions energy: -264.151
where: short stacking energy: -135.073
Base-Backbone interact. energy: -0.733
local terms energy: -155.164385
where:
bonds (distance) C4'-P energy: -29.948
bonds (distance) P-C4' energy: -37.431
flat angles C4'-P-C4' energy: -31.028
flat angles P-C4'-P energy: -26.013
tors. eta vs tors. theta energy: -30.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -413.342539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.342539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.342539 (E_RNA)
where:
Base-Base interactions energy: -252.459
where: short stacking energy: -124.167
Base-Backbone interact. energy: -0.863
local terms energy: -160.020441
where:
bonds (distance) C4'-P energy: -35.044
bonds (distance) P-C4' energy: -32.212
flat angles C4'-P-C4' energy: -38.204
flat angles P-C4'-P energy: -20.887
tors. eta vs tors. theta energy: -33.673
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: 8
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -320.388087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.388087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.388087 (E_RNA)
where:
Base-Base interactions energy: -181.167
where: short stacking energy: -83.716
Base-Backbone interact. energy: 0.096
local terms energy: -139.316921
where:
bonds (distance) C4'-P energy: -36.687
bonds (distance) P-C4' energy: -37.465
flat angles C4'-P-C4' energy: -32.872
flat angles P-C4'-P energy: -22.269
tors. eta vs tors. theta energy: -10.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -332.303844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.303844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.303844 (E_RNA)
where:
Base-Base interactions energy: -213.211
where: short stacking energy: -105.242
Base-Backbone interact. energy: 5.367
local terms energy: -124.459536
where:
bonds (distance) C4'-P energy: -31.421
bonds (distance) P-C4' energy: -26.482
flat angles C4'-P-C4' energy: -35.818
flat angles P-C4'-P energy: -15.289
tors. eta vs tors. theta energy: -15.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -301.108447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.108447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.108447 (E_RNA)
where:
Base-Base interactions energy: -181.691
where: short stacking energy: -88.606
Base-Backbone interact. energy: -0.720
local terms energy: -118.698208
where:
bonds (distance) C4'-P energy: -24.123
bonds (distance) P-C4' energy: -29.601
flat angles C4'-P-C4' energy: -31.378
flat angles P-C4'-P energy: -18.194
tors. eta vs tors. theta energy: -15.402
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: 7
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -152.813871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.813871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.813871 (E_RNA)
where:
Base-Base interactions energy: -65.095
where: short stacking energy: -48.628
Base-Backbone interact. energy: -0.484
local terms energy: -87.235280
where:
bonds (distance) C4'-P energy: -19.548
bonds (distance) P-C4' energy: -36.419
flat angles C4'-P-C4' energy: -30.738
flat angles P-C4'-P energy: -9.218
tors. eta vs tors. theta energy: 8.688
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: 1, replica: 5
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -574.574652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.574652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.574652 (E_RNA)
where:
Base-Base interactions energy: -373.521
where: short stacking energy: -187.436
Base-Backbone interact. energy: -0.080
local terms energy: -200.973699
where:
bonds (distance) C4'-P energy: -30.621
bonds (distance) P-C4' energy: -39.913
flat angles C4'-P-C4' energy: -41.631
flat angles P-C4'-P energy: -30.335
tors. eta vs tors. theta energy: -58.473
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: 6
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -506.824277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.824277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.824277 (E_RNA)
where:
Base-Base interactions energy: -346.181
where: short stacking energy: -167.694
Base-Backbone interact. energy: 0.052
local terms energy: -160.696152
where:
bonds (distance) C4'-P energy: -34.527
bonds (distance) P-C4' energy: -30.737
flat angles C4'-P-C4' energy: -32.778
flat angles P-C4'-P energy: -21.201
tors. eta vs tors. theta energy: -41.453
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: 4
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -493.116928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.116928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.116928 (E_RNA)
where:
Base-Base interactions energy: -331.526
where: short stacking energy: -163.604
Base-Backbone interact. energy: -1.194
local terms energy: -160.396763
where:
bonds (distance) C4'-P energy: -32.602
bonds (distance) P-C4' energy: -31.542
flat angles C4'-P-C4' energy: -35.686
flat angles P-C4'-P energy: -21.550
tors. eta vs tors. theta energy: -39.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -414.159412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.159412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.159412 (E_RNA)
where:
Base-Base interactions energy: -269.581
where: short stacking energy: -118.893
Base-Backbone interact. energy: -1.038
local terms energy: -143.541187
where:
bonds (distance) C4'-P energy: -32.269
bonds (distance) P-C4' energy: -34.189
flat angles C4'-P-C4' energy: -25.847
flat angles P-C4'-P energy: -23.977
tors. eta vs tors. theta energy: -27.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -418.727195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.727195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.727195 (E_RNA)
where:
Base-Base interactions energy: -274.028
where: short stacking energy: -131.591
Base-Backbone interact. energy: -1.023
local terms energy: -143.675955
where:
bonds (distance) C4'-P energy: -35.256
bonds (distance) P-C4' energy: -34.299
flat angles C4'-P-C4' energy: -30.556
flat angles P-C4'-P energy: -14.785
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: 3
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -367.937543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.937543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.937543 (E_RNA)
where:
Base-Base interactions energy: -218.945
where: short stacking energy: -115.123
Base-Backbone interact. energy: -1.028
local terms energy: -147.965245
where:
bonds (distance) C4'-P energy: -29.966
bonds (distance) P-C4' energy: -35.835
flat angles C4'-P-C4' energy: -34.912
flat angles P-C4'-P energy: -21.288
tors. eta vs tors. theta energy: -25.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -345.198369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.198369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.198369 (E_RNA)
where:
Base-Base interactions energy: -215.994
where: short stacking energy: -112.913
Base-Backbone interact. energy: -0.484
local terms energy: -128.720075
where:
bonds (distance) C4'-P energy: -18.937
bonds (distance) P-C4' energy: -24.795
flat angles C4'-P-C4' energy: -38.852
flat angles P-C4'-P energy: -19.022
tors. eta vs tors. theta energy: -27.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -316.877313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.877313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.877313 (E_RNA)
where:
Base-Base interactions energy: -198.599
where: short stacking energy: -95.187
Base-Backbone interact. energy: -0.104
local terms energy: -118.174069
where:
bonds (distance) C4'-P energy: -30.674
bonds (distance) P-C4' energy: -29.335
flat angles C4'-P-C4' energy: -27.104
flat angles P-C4'-P energy: -14.392
tors. eta vs tors. theta energy: -16.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -316.123682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.123682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.123682 (E_RNA)
where:
Base-Base interactions energy: -204.468
where: short stacking energy: -103.344
Base-Backbone interact. energy: 2.426
local terms energy: -114.082260
where:
bonds (distance) C4'-P energy: -33.550
bonds (distance) P-C4' energy: -24.372
flat angles C4'-P-C4' energy: -34.751
flat angles P-C4'-P energy: -12.157
tors. eta vs tors. theta energy: -9.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -173.749506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.749506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.749506 (E_RNA)
where:
Base-Base interactions energy: -78.354
where: short stacking energy: -64.982
Base-Backbone interact. energy: 0.357
local terms energy: -95.753377
where:
bonds (distance) C4'-P energy: -24.185
bonds (distance) P-C4' energy: -33.472
flat angles C4'-P-C4' energy: -22.412
flat angles P-C4'-P energy: -16.084
tors. eta vs tors. theta energy: 0.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -573.063575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.063575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.063575 (E_RNA)
where:
Base-Base interactions energy: -381.678
where: short stacking energy: -191.496
Base-Backbone interact. energy: -0.031
local terms energy: -191.354590
where:
bonds (distance) C4'-P energy: -32.836
bonds (distance) P-C4' energy: -28.540
flat angles C4'-P-C4' energy: -41.392
flat angles P-C4'-P energy: -28.560
tors. eta vs tors. theta energy: -60.026
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: 6
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -496.985346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.985346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.985346 (E_RNA)
where:
Base-Base interactions energy: -336.141
where: short stacking energy: -144.903
Base-Backbone interact. energy: -0.739
local terms energy: -160.104877
where:
bonds (distance) C4'-P energy: -29.118
bonds (distance) P-C4' energy: -38.151
flat angles C4'-P-C4' energy: -34.102
flat angles P-C4'-P energy: -21.662
tors. eta vs tors. theta energy: -37.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -482.975504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.975504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.975504 (E_RNA)
where:
Base-Base interactions energy: -328.264
where: short stacking energy: -146.759
Base-Backbone interact. energy: -0.710
local terms energy: -154.001511
where:
bonds (distance) C4'-P energy: -36.580
bonds (distance) P-C4' energy: -36.530
flat angles C4'-P-C4' energy: -32.296
flat angles P-C4'-P energy: -14.329
tors. eta vs tors. theta energy: -34.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -439.593842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.593842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.593842 (E_RNA)
where:
Base-Base interactions energy: -278.866
where: short stacking energy: -126.269
Base-Backbone interact. energy: 1.052
local terms energy: -161.779315
where:
bonds (distance) C4'-P energy: -35.310
bonds (distance) P-C4' energy: -36.915
flat angles C4'-P-C4' energy: -33.624
flat angles P-C4'-P energy: -25.021
tors. eta vs tors. theta energy: -30.909
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: 9
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -395.571835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.571835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.571835 (E_RNA)
where:
Base-Base interactions energy: -247.588
where: short stacking energy: -109.032
Base-Backbone interact. energy: -1.301
local terms energy: -146.682922
where:
bonds (distance) C4'-P energy: -28.717
bonds (distance) P-C4' energy: -36.664
flat angles C4'-P-C4' energy: -33.689
flat angles P-C4'-P energy: -19.913
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: 6, replica: 3
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -370.083471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.083471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.083471 (E_RNA)
where:
Base-Base interactions energy: -229.391
where: short stacking energy: -115.332
Base-Backbone interact. energy: 0.208
local terms energy: -140.900568
where:
bonds (distance) C4'-P energy: -31.807
bonds (distance) P-C4' energy: -36.322
flat angles C4'-P-C4' energy: -30.580
flat angles P-C4'-P energy: -15.113
tors. eta vs tors. theta energy: -27.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -316.511861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.511861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.511861 (E_RNA)
where:
Base-Base interactions energy: -186.575
where: short stacking energy: -102.972
Base-Backbone interact. energy: -0.218
local terms energy: -129.718718
where:
bonds (distance) C4'-P energy: -31.354
bonds (distance) P-C4' energy: -30.925
flat angles C4'-P-C4' energy: -29.279
flat angles P-C4'-P energy: -24.786
tors. eta vs tors. theta energy: -13.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -323.289830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.289830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.289830 (E_RNA)
where:
Base-Base interactions energy: -196.789
where: short stacking energy: -104.103
Base-Backbone interact. energy: -0.245
local terms energy: -126.255499
where:
bonds (distance) C4'-P energy: -29.227
bonds (distance) P-C4' energy: -25.304
flat angles C4'-P-C4' energy: -29.721
flat angles P-C4'-P energy: -21.224
tors. eta vs tors. theta energy: -20.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -302.945451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.945451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.945451 (E_RNA)
where:
Base-Base interactions energy: -184.720
where: short stacking energy: -85.756
Base-Backbone interact. energy: -0.864
local terms energy: -117.361112
where:
bonds (distance) C4'-P energy: -28.847
bonds (distance) P-C4' energy: -29.677
flat angles C4'-P-C4' energy: -31.905
flat angles P-C4'-P energy: -17.296
tors. eta vs tors. theta energy: -9.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -173.663257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.663257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.663257 (E_RNA)
where:
Base-Base interactions energy: -72.665
where: short stacking energy: -60.622
Base-Backbone interact. energy: -0.399
local terms energy: -100.599020
where:
bonds (distance) C4'-P energy: -27.093
bonds (distance) P-C4' energy: -33.677
flat angles C4'-P-C4' energy: -26.981
flat angles P-C4'-P energy: -8.918
tors. eta vs tors. theta energy: -3.930
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: 1, replica: 5
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -577.493219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.493219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.493219 (E_RNA)
where:
Base-Base interactions energy: -379.042
where: short stacking energy: -189.665
Base-Backbone interact. energy: -0.117
local terms energy: -198.334238
where:
bonds (distance) C4'-P energy: -33.827
bonds (distance) P-C4' energy: -37.963
flat angles C4'-P-C4' energy: -35.237
flat angles P-C4'-P energy: -32.975
tors. eta vs tors. theta energy: -58.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -513.426468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.426468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.426468 (E_RNA)
where:
Base-Base interactions energy: -343.113
where: short stacking energy: -170.911
Base-Backbone interact. energy: 2.586
local terms energy: -172.899495
where:
bonds (distance) C4'-P energy: -34.920
bonds (distance) P-C4' energy: -34.698
flat angles C4'-P-C4' energy: -29.807
flat angles P-C4'-P energy: -28.440
tors. eta vs tors. theta energy: -45.034
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: 3, replica: 6
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -507.133474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.133474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.133474 (E_RNA)
where:
Base-Base interactions energy: -339.119
where: short stacking energy: -166.784
Base-Backbone interact. energy: -0.517
local terms energy: -167.497979
where:
bonds (distance) C4'-P energy: -25.252
bonds (distance) P-C4' energy: -38.202
flat angles C4'-P-C4' energy: -39.989
flat angles P-C4'-P energy: -21.138
tors. eta vs tors. theta energy: -42.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -426.310633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.310633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.310633 (E_RNA)
where:
Base-Base interactions energy: -281.948
where: short stacking energy: -154.567
Base-Backbone interact. energy: -0.125
local terms energy: -144.237829
where:
bonds (distance) C4'-P energy: -29.525
bonds (distance) P-C4' energy: -28.335
flat angles C4'-P-C4' energy: -35.402
flat angles P-C4'-P energy: -16.673
tors. eta vs tors. theta energy: -34.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -394.493724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.493724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.493724 (E_RNA)
where:
Base-Base interactions energy: -236.613
where: short stacking energy: -129.904
Base-Backbone interact. energy: -0.058
local terms energy: -157.822949
where:
bonds (distance) C4'-P energy: -32.149
bonds (distance) P-C4' energy: -28.689
flat angles C4'-P-C4' energy: -37.648
flat angles P-C4'-P energy: -23.034
tors. eta vs tors. theta energy: -36.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -372.302441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.302441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.302441 (E_RNA)
where:
Base-Base interactions energy: -228.155
where: short stacking energy: -112.458
Base-Backbone interact. energy: -0.904
local terms energy: -143.243687
where:
bonds (distance) C4'-P energy: -32.701
bonds (distance) P-C4' energy: -32.763
flat angles C4'-P-C4' energy: -27.359
flat angles P-C4'-P energy: -23.094
tors. eta vs tors. theta energy: -27.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -323.804743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.804743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.804743 (E_RNA)
where:
Base-Base interactions energy: -193.220
where: short stacking energy: -96.382
Base-Backbone interact. energy: -0.477
local terms energy: -130.108207
where:
bonds (distance) C4'-P energy: -20.334
bonds (distance) P-C4' energy: -34.730
flat angles C4'-P-C4' energy: -32.745
flat angles P-C4'-P energy: -23.723
tors. eta vs tors. theta energy: -18.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -313.863419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.863419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.863419 (E_RNA)
where:
Base-Base interactions energy: -190.469
where: short stacking energy: -96.972
Base-Backbone interact. energy: -0.195
local terms energy: -123.198676
where:
bonds (distance) C4'-P energy: -20.923
bonds (distance) P-C4' energy: -34.538
flat angles C4'-P-C4' energy: -34.527
flat angles P-C4'-P energy: -10.021
tors. eta vs tors. theta energy: -23.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -306.985620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.985620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.985620 (E_RNA)
where:
Base-Base interactions energy: -201.472
where: short stacking energy: -98.582
Base-Backbone interact. energy: -0.798
local terms energy: -104.715553
where:
bonds (distance) C4'-P energy: -17.649
bonds (distance) P-C4' energy: -23.940
flat angles C4'-P-C4' energy: -35.865
flat angles P-C4'-P energy: -20.799
tors. eta vs tors. theta energy: -6.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -166.591487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.591487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.591487 (E_RNA)
where:
Base-Base interactions energy: -52.076
where: short stacking energy: -49.517
Base-Backbone interact. energy: -0.093
local terms energy: -114.422876
where:
bonds (distance) C4'-P energy: -29.470
bonds (distance) P-C4' energy: -38.850
flat angles C4'-P-C4' energy: -28.374
flat angles P-C4'-P energy: -17.962
tors. eta vs tors. theta energy: 0.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -580.686535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.686535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.686535 (E_RNA)
where:
Base-Base interactions energy: -388.172
where: short stacking energy: -207.856
Base-Backbone interact. energy: 1.692
local terms energy: -194.206567
where:
bonds (distance) C4'-P energy: -35.702
bonds (distance) P-C4' energy: -35.701
flat angles C4'-P-C4' energy: -38.586
flat angles P-C4'-P energy: -26.549
tors. eta vs tors. theta energy: -57.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -506.720806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.720806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.720806 (E_RNA)
where:
Base-Base interactions energy: -331.579
where: short stacking energy: -162.251
Base-Backbone interact. energy: -1.155
local terms energy: -173.986211
where:
bonds (distance) C4'-P energy: -32.127
bonds (distance) P-C4' energy: -38.053
flat angles C4'-P-C4' energy: -37.743
flat angles P-C4'-P energy: -26.196
tors. eta vs tors. theta energy: -39.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -515.908774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.908774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.908774 (E_RNA)
where:
Base-Base interactions energy: -335.742
where: short stacking energy: -149.436
Base-Backbone interact. energy: -1.695
local terms energy: -178.471697
where:
bonds (distance) C4'-P energy: -34.376
bonds (distance) P-C4' energy: -33.671
flat angles C4'-P-C4' energy: -37.801
flat angles P-C4'-P energy: -31.516
tors. eta vs tors. theta energy: -41.108
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: 9
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -420.746456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.746456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.746456 (E_RNA)
where:
Base-Base interactions energy: -263.757
where: short stacking energy: -125.950
Base-Backbone interact. energy: -0.827
local terms energy: -156.163117
where:
bonds (distance) C4'-P energy: -35.472
bonds (distance) P-C4' energy: -35.112
flat angles C4'-P-C4' energy: -32.418
flat angles P-C4'-P energy: -27.301
tors. eta vs tors. theta energy: -25.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -397.355753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.355753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.355753 (E_RNA)
where:
Base-Base interactions energy: -247.570
where: short stacking energy: -127.555
Base-Backbone interact. energy: -0.893
local terms energy: -148.892373
where:
bonds (distance) C4'-P energy: -27.872
bonds (distance) P-C4' energy: -31.936
flat angles C4'-P-C4' energy: -31.550
flat angles P-C4'-P energy: -27.403
tors. eta vs tors. theta energy: -30.131
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: 6, replica: 3
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -366.417737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.417737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.417737 (E_RNA)
where:
Base-Base interactions energy: -218.610
where: short stacking energy: -118.009
Base-Backbone interact. energy: -0.259
local terms energy: -147.548921
where:
bonds (distance) C4'-P energy: -34.676
bonds (distance) P-C4' energy: -29.327
flat angles C4'-P-C4' energy: -35.345
flat angles P-C4'-P energy: -25.319
tors. eta vs tors. theta energy: -22.883
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: 8
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -364.179436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.179436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.179436 (E_RNA)
where:
Base-Base interactions energy: -230.816
where: short stacking energy: -120.059
Base-Backbone interact. energy: 1.006
local terms energy: -134.369693
where:
bonds (distance) C4'-P energy: -31.615
bonds (distance) P-C4' energy: -26.862
flat angles C4'-P-C4' energy: -29.072
flat angles P-C4'-P energy: -21.375
tors. eta vs tors. theta energy: -25.446
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: 8, replica: 10
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -355.451148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.451148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.451148 (E_RNA)
where:
Base-Base interactions energy: -230.890
where: short stacking energy: -100.682
Base-Backbone interact. energy: -0.071
local terms energy: -124.490143
where:
bonds (distance) C4'-P energy: -26.624
bonds (distance) P-C4' energy: -30.277
flat angles C4'-P-C4' energy: -27.405
flat angles P-C4'-P energy: -19.426
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: 9, replica: 1
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -327.955527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.955527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.955527 (E_RNA)
where:
Base-Base interactions energy: -200.004
where: short stacking energy: -102.198
Base-Backbone interact. energy: 0.277
local terms energy: -128.227846
where:
bonds (distance) C4'-P energy: -29.993
bonds (distance) P-C4' energy: -27.168
flat angles C4'-P-C4' energy: -31.452
flat angles P-C4'-P energy: -19.221
tors. eta vs tors. theta energy: -20.395
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: 7
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -156.925373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.925373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.925373 (E_RNA)
where:
Base-Base interactions energy: -60.175
where: short stacking energy: -53.337
Base-Backbone interact. energy: -0.644
local terms energy: -96.106232
where:
bonds (distance) C4'-P energy: -27.039
bonds (distance) P-C4' energy: -24.824
flat angles C4'-P-C4' energy: -31.872
flat angles P-C4'-P energy: -13.475
tors. eta vs tors. theta energy: 1.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -579.097029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.097029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.097029 (E_RNA)
where:
Base-Base interactions energy: -394.289
where: short stacking energy: -206.434
Base-Backbone interact. energy: -0.019
local terms energy: -184.789457
where:
bonds (distance) C4'-P energy: -34.254
bonds (distance) P-C4' energy: -32.834
flat angles C4'-P-C4' energy: -35.717
flat angles P-C4'-P energy: -23.466
tors. eta vs tors. theta energy: -58.518
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: 4
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -507.557990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.557990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.557990 (E_RNA)
where:
Base-Base interactions energy: -334.883
where: short stacking energy: -155.088
Base-Backbone interact. energy: -0.575
local terms energy: -172.100471
where:
bonds (distance) C4'-P energy: -34.163
bonds (distance) P-C4' energy: -38.665
flat angles C4'-P-C4' energy: -37.798
flat angles P-C4'-P energy: -20.502
tors. eta vs tors. theta energy: -40.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -520.924407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.924407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.924407 (E_RNA)
where:
Base-Base interactions energy: -350.303
where: short stacking energy: -158.168
Base-Backbone interact. energy: -0.436
local terms energy: -170.185390
where:
bonds (distance) C4'-P energy: -28.321
bonds (distance) P-C4' energy: -37.528
flat angles C4'-P-C4' energy: -33.235
flat angles P-C4'-P energy: -27.695
tors. eta vs tors. theta energy: -43.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -471.549107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.549107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.549107 (E_RNA)
where:
Base-Base interactions energy: -307.823
where: short stacking energy: -141.825
Base-Backbone interact. energy: -0.429
local terms energy: -163.296209
where:
bonds (distance) C4'-P energy: -35.820
bonds (distance) P-C4' energy: -27.646
flat angles C4'-P-C4' energy: -37.207
flat angles P-C4'-P energy: -29.080
tors. eta vs tors. theta energy: -33.543
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: 2
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -385.688740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.688740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.688740 (E_RNA)
where:
Base-Base interactions energy: -240.404
where: short stacking energy: -120.454
Base-Backbone interact. energy: -0.528
local terms energy: -144.757290
where:
bonds (distance) C4'-P energy: -30.082
bonds (distance) P-C4' energy: -33.440
flat angles C4'-P-C4' energy: -32.960
flat angles P-C4'-P energy: -21.935
tors. eta vs tors. theta energy: -26.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -350.975366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.975366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.975366 (E_RNA)
where:
Base-Base interactions energy: -219.769
where: short stacking energy: -107.495
Base-Backbone interact. energy: -0.639
local terms energy: -130.567727
where:
bonds (distance) C4'-P energy: -30.998
bonds (distance) P-C4' energy: -25.668
flat angles C4'-P-C4' energy: -34.103
flat angles P-C4'-P energy: -21.835
tors. eta vs tors. theta energy: -17.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -341.498429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.498429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.498429 (E_RNA)
where:
Base-Base interactions energy: -217.550
where: short stacking energy: -106.617
Base-Backbone interact. energy: 6.157
local terms energy: -130.106066
where:
bonds (distance) C4'-P energy: -26.797
bonds (distance) P-C4' energy: -32.855
flat angles C4'-P-C4' energy: -34.660
flat angles P-C4'-P energy: -22.770
tors. eta vs tors. theta energy: -13.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -314.454191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.454191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.454191 (E_RNA)
where:
Base-Base interactions energy: -186.554
where: short stacking energy: -91.432
Base-Backbone interact. energy: 1.033
local terms energy: -128.933163
where:
bonds (distance) C4'-P energy: -31.374
bonds (distance) P-C4' energy: -21.985
flat angles C4'-P-C4' energy: -33.635
flat angles P-C4'-P energy: -23.900
tors. eta vs tors. theta energy: -18.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -325.353979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.353979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.353979 (E_RNA)
where:
Base-Base interactions energy: -189.560
where: short stacking energy: -98.718
Base-Backbone interact. energy: -0.370
local terms energy: -135.423643
where:
bonds (distance) C4'-P energy: -34.393
bonds (distance) P-C4' energy: -27.204
flat angles C4'-P-C4' energy: -32.513
flat angles P-C4'-P energy: -20.306
tors. eta vs tors. theta energy: -21.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -157.749882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.749882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.749882 (E_RNA)
where:
Base-Base interactions energy: -48.362
where: short stacking energy: -47.771
Base-Backbone interact. energy: -0.042
local terms energy: -109.346508
where:
bonds (distance) C4'-P energy: -29.875
bonds (distance) P-C4' energy: -36.414
flat angles C4'-P-C4' energy: -21.740
flat angles P-C4'-P energy: -10.122
tors. eta vs tors. theta energy: -11.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -576.484194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.484194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.484194 (E_RNA)
where:
Base-Base interactions energy: -386.738
where: short stacking energy: -190.097
Base-Backbone interact. energy: -0.417
local terms energy: -189.329212
where:
bonds (distance) C4'-P energy: -27.099
bonds (distance) P-C4' energy: -37.087
flat angles C4'-P-C4' energy: -40.931
flat angles P-C4'-P energy: -24.205
tors. eta vs tors. theta energy: -60.008
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: 2, replica: 4
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -494.257014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.257014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.257014 (E_RNA)
where:
Base-Base interactions energy: -325.108
where: short stacking energy: -145.558
Base-Backbone interact. energy: -0.152
local terms energy: -168.996946
where:
bonds (distance) C4'-P energy: -37.219
bonds (distance) P-C4' energy: -32.140
flat angles C4'-P-C4' energy: -39.885
flat angles P-C4'-P energy: -25.247
tors. eta vs tors. theta energy: -34.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -531.752485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.752485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.752485 (E_RNA)
where:
Base-Base interactions energy: -358.391
where: short stacking energy: -172.991
Base-Backbone interact. energy: -0.039
local terms energy: -173.322340
where:
bonds (distance) C4'-P energy: -30.259
bonds (distance) P-C4' energy: -32.352
flat angles C4'-P-C4' energy: -37.145
flat angles P-C4'-P energy: -25.981
tors. eta vs tors. theta energy: -47.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -462.631910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.631910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.631910 (E_RNA)
where:
Base-Base interactions energy: -317.019
where: short stacking energy: -139.770
Base-Backbone interact. energy: 1.123
local terms energy: -146.735686
where:
bonds (distance) C4'-P energy: -29.803
bonds (distance) P-C4' energy: -26.539
flat angles C4'-P-C4' energy: -35.888
flat angles P-C4'-P energy: -22.478
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: 5, replica: 8
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -357.932090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.932090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.932090 (E_RNA)
where:
Base-Base interactions energy: -225.498
where: short stacking energy: -116.263
Base-Backbone interact. energy: -0.417
local terms energy: -132.017046
where:
bonds (distance) C4'-P energy: -31.210
bonds (distance) P-C4' energy: -33.001
flat angles C4'-P-C4' energy: -35.186
flat angles P-C4'-P energy: -9.202
tors. eta vs tors. theta energy: -23.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -358.425375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.425375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.425375 (E_RNA)
where:
Base-Base interactions energy: -221.229
where: short stacking energy: -111.201
Base-Backbone interact. energy: 0.462
local terms energy: -137.658064
where:
bonds (distance) C4'-P energy: -32.765
bonds (distance) P-C4' energy: -36.342
flat angles C4'-P-C4' energy: -25.382
flat angles P-C4'-P energy: -17.084
tors. eta vs tors. theta energy: -26.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -342.638229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.638229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.638229 (E_RNA)
where:
Base-Base interactions energy: -220.988
where: short stacking energy: -99.519
Base-Backbone interact. energy: 0.257
local terms energy: -121.907047
where:
bonds (distance) C4'-P energy: -21.383
bonds (distance) P-C4' energy: -26.795
flat angles C4'-P-C4' energy: -35.496
flat angles P-C4'-P energy: -22.827
tors. eta vs tors. theta energy: -15.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -329.437122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.437122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.437122 (E_RNA)
where:
Base-Base interactions energy: -186.630
where: short stacking energy: -93.905
Base-Backbone interact. energy: -0.506
local terms energy: -142.301005
where:
bonds (distance) C4'-P energy: -32.454
bonds (distance) P-C4' energy: -36.858
flat angles C4'-P-C4' energy: -30.061
flat angles P-C4'-P energy: -26.746
tors. eta vs tors. theta energy: -16.182
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: 168
Temperature: 1.300000
Total energy: -309.567596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.567596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.567596 (E_RNA)
where:
Base-Base interactions energy: -182.379
where: short stacking energy: -89.579
Base-Backbone interact. energy: 0.988
local terms energy: -128.177125
where:
bonds (distance) C4'-P energy: -34.643
bonds (distance) P-C4' energy: -30.340
flat angles C4'-P-C4' energy: -35.166
flat angles P-C4'-P energy: -11.364
tors. eta vs tors. theta energy: -16.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -152.747168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.747168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.747168 (E_RNA)
where:
Base-Base interactions energy: -48.729
where: short stacking energy: -41.821
Base-Backbone interact. energy: 1.038
local terms energy: -105.056035
where:
bonds (distance) C4'-P energy: -30.189
bonds (distance) P-C4' energy: -27.836
flat angles C4'-P-C4' energy: -25.295
flat angles P-C4'-P energy: -17.409
tors. eta vs tors. theta energy: -4.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -575.780506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.780506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.780506 (E_RNA)
where:
Base-Base interactions energy: -379.059
where: short stacking energy: -187.517
Base-Backbone interact. energy: -0.231
local terms energy: -196.490420
where:
bonds (distance) C4'-P energy: -41.010
bonds (distance) P-C4' energy: -36.002
flat angles C4'-P-C4' energy: -33.498
flat angles P-C4'-P energy: -28.399
tors. eta vs tors. theta energy: -57.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -542.751313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.751313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.751313 (E_RNA)
where:
Base-Base interactions energy: -372.712
where: short stacking energy: -164.439
Base-Backbone interact. energy: 0.073
local terms energy: -170.112819
where:
bonds (distance) C4'-P energy: -34.445
bonds (distance) P-C4' energy: -35.089
flat angles C4'-P-C4' energy: -32.202
flat angles P-C4'-P energy: -23.796
tors. eta vs tors. theta energy: -44.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -486.165442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.165442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.165442 (E_RNA)
where:
Base-Base interactions energy: -327.856
where: short stacking energy: -148.910
Base-Backbone interact. energy: -0.415
local terms energy: -157.894159
where:
bonds (distance) C4'-P energy: -28.547
bonds (distance) P-C4' energy: -33.173
flat angles C4'-P-C4' energy: -33.999
flat angles P-C4'-P energy: -23.247
tors. eta vs tors. theta energy: -38.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -469.888811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.888811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.888811 (E_RNA)
where:
Base-Base interactions energy: -311.608
where: short stacking energy: -121.037
Base-Backbone interact. energy: -1.318
local terms energy: -156.962543
where:
bonds (distance) C4'-P energy: -39.748
bonds (distance) P-C4' energy: -34.489
flat angles C4'-P-C4' energy: -34.463
flat angles P-C4'-P energy: -24.193
tors. eta vs tors. theta energy: -24.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -340.532779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.532779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.532779 (E_RNA)
where:
Base-Base interactions energy: -222.005
where: short stacking energy: -106.680
Base-Backbone interact. energy: -0.611
local terms energy: -117.916344
where:
bonds (distance) C4'-P energy: -19.595
bonds (distance) P-C4' energy: -35.108
flat angles C4'-P-C4' energy: -32.660
flat angles P-C4'-P energy: -15.245
tors. eta vs tors. theta energy: -15.309
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: 3
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -359.021600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.021600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.021600 (E_RNA)
where:
Base-Base interactions energy: -228.264
where: short stacking energy: -105.186
Base-Backbone interact. energy: -2.114
local terms energy: -128.643113
where:
bonds (distance) C4'-P energy: -24.135
bonds (distance) P-C4' energy: -26.735
flat angles C4'-P-C4' energy: -32.213
flat angles P-C4'-P energy: -18.516
tors. eta vs tors. theta energy: -27.044
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: 2
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -319.469774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.469774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.469774 (E_RNA)
where:
Base-Base interactions energy: -201.665
where: short stacking energy: -92.668
Base-Backbone interact. energy: 0.872
local terms energy: -118.677348
where:
bonds (distance) C4'-P energy: -38.045
bonds (distance) P-C4' energy: -26.745
flat angles C4'-P-C4' energy: -21.402
flat angles P-C4'-P energy: -15.534
tors. eta vs tors. theta energy: -16.952
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: 169
Temperature: 1.250000
Total energy: -310.775742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.775742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.775742 (E_RNA)
where:
Base-Base interactions energy: -193.632
where: short stacking energy: -92.392
Base-Backbone interact. energy: -0.028
local terms energy: -117.115459
where:
bonds (distance) C4'-P energy: -20.743
bonds (distance) P-C4' energy: -30.728
flat angles C4'-P-C4' energy: -29.984
flat angles P-C4'-P energy: -19.934
tors. eta vs tors. theta energy: -15.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -303.362890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.362890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.362890 (E_RNA)
where:
Base-Base interactions energy: -180.271
where: short stacking energy: -104.705
Base-Backbone interact. energy: -0.966
local terms energy: -122.125471
where:
bonds (distance) C4'-P energy: -26.391
bonds (distance) P-C4' energy: -26.543
flat angles C4'-P-C4' energy: -31.672
flat angles P-C4'-P energy: -16.673
tors. eta vs tors. theta energy: -20.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -159.291514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.291514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.291514 (E_RNA)
where:
Base-Base interactions energy: -69.230
where: short stacking energy: -62.569
Base-Backbone interact. energy: 0.526
local terms energy: -90.587621
where:
bonds (distance) C4'-P energy: -28.475
bonds (distance) P-C4' energy: -21.926
flat angles C4'-P-C4' energy: -21.733
flat angles P-C4'-P energy: -10.330
tors. eta vs tors. theta energy: -8.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -594.010778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.010778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.010778 (E_RNA)
where:
Base-Base interactions energy: -395.865
where: short stacking energy: -195.890
Base-Backbone interact. energy: 1.135
local terms energy: -199.281229
where:
bonds (distance) C4'-P energy: -38.742
bonds (distance) P-C4' energy: -34.176
flat angles C4'-P-C4' energy: -40.519
flat angles P-C4'-P energy: -27.403
tors. eta vs tors. theta energy: -58.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -530.965470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.965470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.965470 (E_RNA)
where:
Base-Base interactions energy: -363.020
where: short stacking energy: -161.909
Base-Backbone interact. energy: -0.002
local terms energy: -167.943128
where:
bonds (distance) C4'-P energy: -34.043
bonds (distance) P-C4' energy: -30.573
flat angles C4'-P-C4' energy: -38.204
flat angles P-C4'-P energy: -22.491
tors. eta vs tors. theta energy: -42.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -481.363653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.363653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.363653 (E_RNA)
where:
Base-Base interactions energy: -322.284
where: short stacking energy: -153.734
Base-Backbone interact. energy: -0.222
local terms energy: -158.858453
where:
bonds (distance) C4'-P energy: -34.137
bonds (distance) P-C4' energy: -28.137
flat angles C4'-P-C4' energy: -35.601
flat angles P-C4'-P energy: -23.783
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: 4, replica: 9
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -480.486466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.486466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.486466 (E_RNA)
where:
Base-Base interactions energy: -323.832
where: short stacking energy: -131.175
Base-Backbone interact. energy: 0.056
local terms energy: -156.710770
where:
bonds (distance) C4'-P energy: -31.508
bonds (distance) P-C4' energy: -38.582
flat angles C4'-P-C4' energy: -30.128
flat angles P-C4'-P energy: -20.967
tors. eta vs tors. theta energy: -35.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -361.098066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.098066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.098066 (E_RNA)
where:
Base-Base interactions energy: -217.700
where: short stacking energy: -121.943
Base-Backbone interact. energy: -0.517
local terms energy: -142.881216
where:
bonds (distance) C4'-P energy: -23.312
bonds (distance) P-C4' energy: -28.134
flat angles C4'-P-C4' energy: -40.085
flat angles P-C4'-P energy: -26.065
tors. eta vs tors. theta energy: -25.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -363.868583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.868583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.868583 (E_RNA)
where:
Base-Base interactions energy: -232.430
where: short stacking energy: -119.985
Base-Backbone interact. energy: 1.126
local terms energy: -132.564998
where:
bonds (distance) C4'-P energy: -27.118
bonds (distance) P-C4' energy: -32.037
flat angles C4'-P-C4' energy: -30.683
flat angles P-C4'-P energy: -16.194
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: 7, replica: 10
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -346.364313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.364313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.364313 (E_RNA)
where:
Base-Base interactions energy: -222.334
where: short stacking energy: -111.580
Base-Backbone interact. energy: 0.945
local terms energy: -124.974513
where:
bonds (distance) C4'-P energy: -26.792
bonds (distance) P-C4' energy: -23.824
flat angles C4'-P-C4' energy: -31.612
flat angles P-C4'-P energy: -19.700
tors. eta vs tors. theta energy: -23.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -303.386674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.386674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.386674 (E_RNA)
where:
Base-Base interactions energy: -176.299
where: short stacking energy: -89.693
Base-Backbone interact. energy: -0.412
local terms energy: -126.675140
where:
bonds (distance) C4'-P energy: -26.514
bonds (distance) P-C4' energy: -31.411
flat angles C4'-P-C4' energy: -35.047
flat angles P-C4'-P energy: -17.121
tors. eta vs tors. theta energy: -16.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -310.005972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.005972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.005972 (E_RNA)
where:
Base-Base interactions energy: -181.386
where: short stacking energy: -95.213
Base-Backbone interact. energy: -2.171
local terms energy: -126.449238
where:
bonds (distance) C4'-P energy: -28.866
bonds (distance) P-C4' energy: -23.238
flat angles C4'-P-C4' energy: -25.940
flat angles P-C4'-P energy: -24.253
tors. eta vs tors. theta energy: -24.152
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: 7
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -169.307427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.307427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.307427 (E_RNA)
where:
Base-Base interactions energy: -59.261
where: short stacking energy: -56.116
Base-Backbone interact. energy: 0.246
local terms energy: -110.292354
where:
bonds (distance) C4'-P energy: -26.069
bonds (distance) P-C4' energy: -31.069
flat angles C4'-P-C4' energy: -25.941
flat angles P-C4'-P energy: -20.013
tors. eta vs tors. theta energy: -7.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -582.431891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.431891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.431891 (E_RNA)
where:
Base-Base interactions energy: -386.305
where: short stacking energy: -196.955
Base-Backbone interact. energy: -0.224
local terms energy: -195.902954
where:
bonds (distance) C4'-P energy: -38.364
bonds (distance) P-C4' energy: -34.619
flat angles C4'-P-C4' energy: -37.782
flat angles P-C4'-P energy: -22.914
tors. eta vs tors. theta energy: -62.224
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: 6
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -542.687508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.687508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.687508 (E_RNA)
where:
Base-Base interactions energy: -358.340
where: short stacking energy: -168.149
Base-Backbone interact. energy: -0.853
local terms energy: -183.494972
where:
bonds (distance) C4'-P energy: -28.610
bonds (distance) P-C4' energy: -39.659
flat angles C4'-P-C4' energy: -38.854
flat angles P-C4'-P energy: -29.971
tors. eta vs tors. theta energy: -46.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -492.059740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.059740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.059740 (E_RNA)
where:
Base-Base interactions energy: -316.618
where: short stacking energy: -162.543
Base-Backbone interact. energy: -0.809
local terms energy: -174.632024
where:
bonds (distance) C4'-P energy: -33.728
bonds (distance) P-C4' energy: -34.472
flat angles C4'-P-C4' energy: -38.264
flat angles P-C4'-P energy: -24.597
tors. eta vs tors. theta energy: -43.572
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: 9
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -485.643923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.643923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.643923 (E_RNA)
where:
Base-Base interactions energy: -326.939
where: short stacking energy: -138.513
Base-Backbone interact. energy: 0.095
local terms energy: -158.800288
where:
bonds (distance) C4'-P energy: -35.371
bonds (distance) P-C4' energy: -33.328
flat angles C4'-P-C4' energy: -35.821
flat angles P-C4'-P energy: -20.084
tors. eta vs tors. theta energy: -34.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -346.749460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.749460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.749460 (E_RNA)
where:
Base-Base interactions energy: -203.320
where: short stacking energy: -99.003
Base-Backbone interact. energy: -2.956
local terms energy: -140.474233
where:
bonds (distance) C4'-P energy: -34.368
bonds (distance) P-C4' energy: -36.314
flat angles C4'-P-C4' energy: -38.331
flat angles P-C4'-P energy: -17.753
tors. eta vs tors. theta energy: -13.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -359.684282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.684282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.684282 (E_RNA)
where:
Base-Base interactions energy: -220.807
where: short stacking energy: -117.423
Base-Backbone interact. energy: -0.729
local terms energy: -138.148825
where:
bonds (distance) C4'-P energy: -31.637
bonds (distance) P-C4' energy: -24.957
flat angles C4'-P-C4' energy: -29.174
flat angles P-C4'-P energy: -29.085
tors. eta vs tors. theta energy: -23.296
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: 3
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -340.571232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.571232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.571232 (E_RNA)
where:
Base-Base interactions energy: -199.513
where: short stacking energy: -101.090
Base-Backbone interact. energy: 0.319
local terms energy: -141.376424
where:
bonds (distance) C4'-P energy: -27.563
bonds (distance) P-C4' energy: -35.759
flat angles C4'-P-C4' energy: -30.686
flat angles P-C4'-P energy: -24.876
tors. eta vs tors. theta energy: -22.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -295.197345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.197345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.197345 (E_RNA)
where:
Base-Base interactions energy: -179.351
where: short stacking energy: -85.183
Base-Backbone interact. energy: 1.913
local terms energy: -117.759318
where:
bonds (distance) C4'-P energy: -30.841
bonds (distance) P-C4' energy: -32.805
flat angles C4'-P-C4' energy: -21.079
flat angles P-C4'-P energy: -23.511
tors. eta vs tors. theta energy: -9.524
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: 9, replica: 2
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -304.218536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.218536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.218536 (E_RNA)
where:
Base-Base interactions energy: -178.101
where: short stacking energy: -96.193
Base-Backbone interact. energy: -0.498
local terms energy: -125.619264
where:
bonds (distance) C4'-P energy: -32.199
bonds (distance) P-C4' energy: -29.003
flat angles C4'-P-C4' energy: -29.313
flat angles P-C4'-P energy: -23.199
tors. eta vs tors. theta energy: -11.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -169.492306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.492306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.492306 (E_RNA)
where:
Base-Base interactions energy: -63.630
where: short stacking energy: -62.424
Base-Backbone interact. energy: -1.227
local terms energy: -104.635095
where:
bonds (distance) C4'-P energy: -24.256
bonds (distance) P-C4' energy: -25.373
flat angles C4'-P-C4' energy: -24.525
flat angles P-C4'-P energy: -18.033
tors. eta vs tors. theta energy: -12.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -555.026168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.026168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.026168 (E_RNA)
where:
Base-Base interactions energy: -375.843
where: short stacking energy: -179.893
Base-Backbone interact. energy: 2.194
local terms energy: -181.377501
where:
bonds (distance) C4'-P energy: -34.352
bonds (distance) P-C4' energy: -37.284
flat angles C4'-P-C4' energy: -38.636
flat angles P-C4'-P energy: -26.748
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: 2, replica: 5
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -558.754331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.754331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.754331 (E_RNA)
where:
Base-Base interactions energy: -370.503
where: short stacking energy: -186.552
Base-Backbone interact. energy: -0.108
local terms energy: -188.142724
where:
bonds (distance) C4'-P energy: -22.975
bonds (distance) P-C4' energy: -41.698
flat angles C4'-P-C4' energy: -41.911
flat angles P-C4'-P energy: -28.960
tors. eta vs tors. theta energy: -52.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -467.896020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.896020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.896020 (E_RNA)
where:
Base-Base interactions energy: -303.036
where: short stacking energy: -143.736
Base-Backbone interact. energy: -0.452
local terms energy: -164.407401
where:
bonds (distance) C4'-P energy: -38.173
bonds (distance) P-C4' energy: -32.580
flat angles C4'-P-C4' energy: -40.195
flat angles P-C4'-P energy: -17.225
tors. eta vs tors. theta energy: -36.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -470.083456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.083456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.083456 (E_RNA)
where:
Base-Base interactions energy: -324.522
where: short stacking energy: -159.264
Base-Backbone interact. energy: -1.075
local terms energy: -144.486782
where:
bonds (distance) C4'-P energy: -20.935
bonds (distance) P-C4' energy: -26.800
flat angles C4'-P-C4' energy: -36.061
flat angles P-C4'-P energy: -22.765
tors. eta vs tors. theta energy: -37.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -366.221714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.221714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.221714 (E_RNA)
where:
Base-Base interactions energy: -209.090
where: short stacking energy: -118.104
Base-Backbone interact. energy: -0.119
local terms energy: -157.012152
where:
bonds (distance) C4'-P energy: -33.768
bonds (distance) P-C4' energy: -29.974
flat angles C4'-P-C4' energy: -33.711
flat angles P-C4'-P energy: -27.546
tors. eta vs tors. theta energy: -32.013
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: 8
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -349.894712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.894712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.894712 (E_RNA)
where:
Base-Base interactions energy: -214.490
where: short stacking energy: -108.444
Base-Backbone interact. energy: -0.448
local terms energy: -134.957034
where:
bonds (distance) C4'-P energy: -29.797
bonds (distance) P-C4' energy: -32.782
flat angles C4'-P-C4' energy: -31.827
flat angles P-C4'-P energy: -18.815
tors. eta vs tors. theta energy: -21.736
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: 7, replica: 1
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -322.827358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.827358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.827358 (E_RNA)
where:
Base-Base interactions energy: -184.134
where: short stacking energy: -92.651
Base-Backbone interact. energy: -0.765
local terms energy: -137.927911
where:
bonds (distance) C4'-P energy: -32.871
bonds (distance) P-C4' energy: -39.162
flat angles C4'-P-C4' energy: -29.342
flat angles P-C4'-P energy: -19.488
tors. eta vs tors. theta energy: -17.065
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: 3
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -314.537680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.537680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.537680 (E_RNA)
where:
Base-Base interactions energy: -199.397
where: short stacking energy: -107.568
Base-Backbone interact. energy: -0.302
local terms energy: -114.838482
where:
bonds (distance) C4'-P energy: -20.562
bonds (distance) P-C4' energy: -29.747
flat angles C4'-P-C4' energy: -32.547
flat angles P-C4'-P energy: -7.676
tors. eta vs tors. theta energy: -24.306
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: 9, replica: 2
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -291.613661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.613661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.613661 (E_RNA)
where:
Base-Base interactions energy: -175.509
where: short stacking energy: -88.171
Base-Backbone interact. energy: 0.736
local terms energy: -116.840635
where:
bonds (distance) C4'-P energy: -24.127
bonds (distance) P-C4' energy: -31.600
flat angles C4'-P-C4' energy: -28.489
flat angles P-C4'-P energy: -18.192
tors. eta vs tors. theta energy: -14.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -159.789730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.789730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.789730 (E_RNA)
where:
Base-Base interactions energy: -67.264
where: short stacking energy: -55.725
Base-Backbone interact. energy: -0.478
local terms energy: -92.047793
where:
bonds (distance) C4'-P energy: -27.845
bonds (distance) P-C4' energy: -27.527
flat angles C4'-P-C4' energy: -23.586
flat angles P-C4'-P energy: -13.678
tors. eta vs tors. theta energy: 0.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -559.203035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.203035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.203035 (E_RNA)
where:
Base-Base interactions energy: -373.722
where: short stacking energy: -179.785
Base-Backbone interact. energy: 0.088
local terms energy: -185.568342
where:
bonds (distance) C4'-P energy: -38.505
bonds (distance) P-C4' energy: -36.373
flat angles C4'-P-C4' energy: -36.127
flat angles P-C4'-P energy: -28.803
tors. eta vs tors. theta energy: -45.761
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: 2, replica: 5
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -564.000543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.000543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.000543 (E_RNA)
where:
Base-Base interactions energy: -371.258
where: short stacking energy: -182.094
Base-Backbone interact. energy: -0.017
local terms energy: -192.725682
where:
bonds (distance) C4'-P energy: -36.354
bonds (distance) P-C4' energy: -32.408
flat angles C4'-P-C4' energy: -39.304
flat angles P-C4'-P energy: -28.407
tors. eta vs tors. theta energy: -56.254
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: 4
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -468.658024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.658024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.658024 (E_RNA)
where:
Base-Base interactions energy: -315.903
where: short stacking energy: -141.992
Base-Backbone interact. energy: -0.553
local terms energy: -152.201942
where:
bonds (distance) C4'-P energy: -26.274
bonds (distance) P-C4' energy: -32.712
flat angles C4'-P-C4' energy: -36.048
flat angles P-C4'-P energy: -20.087
tors. eta vs tors. theta energy: -37.081
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: 9
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -477.735840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.735840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.735840 (E_RNA)
where:
Base-Base interactions energy: -320.920
where: short stacking energy: -137.565
Base-Backbone interact. energy: -0.396
local terms energy: -156.419828
where:
bonds (distance) C4'-P energy: -28.967
bonds (distance) P-C4' energy: -35.753
flat angles C4'-P-C4' energy: -35.239
flat angles P-C4'-P energy: -24.268
tors. eta vs tors. theta energy: -32.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -398.816075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.816075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.816075 (E_RNA)
where:
Base-Base interactions energy: -269.364
where: short stacking energy: -120.656
Base-Backbone interact. energy: -0.898
local terms energy: -128.554210
where:
bonds (distance) C4'-P energy: -32.726
bonds (distance) P-C4' energy: -29.356
flat angles C4'-P-C4' energy: -27.040
flat angles P-C4'-P energy: -8.743
tors. eta vs tors. theta energy: -30.690
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: 8
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -365.288212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.288212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.288212 (E_RNA)
where:
Base-Base interactions energy: -224.950
where: short stacking energy: -116.459
Base-Backbone interact. energy: -0.330
local terms energy: -140.008539
where:
bonds (distance) C4'-P energy: -30.371
bonds (distance) P-C4' energy: -26.823
flat angles C4'-P-C4' energy: -40.772
flat angles P-C4'-P energy: -20.606
tors. eta vs tors. theta energy: -21.436
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: 1
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -330.879329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.879329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.879329 (E_RNA)
where:
Base-Base interactions energy: -200.911
where: short stacking energy: -109.084
Base-Backbone interact. energy: -0.380
local terms energy: -129.589187
where:
bonds (distance) C4'-P energy: -29.475
bonds (distance) P-C4' energy: -36.411
flat angles C4'-P-C4' energy: -28.553
flat angles P-C4'-P energy: -17.803
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: 8, replica: 2
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -309.945560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.945560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.945560 (E_RNA)
where:
Base-Base interactions energy: -199.252
where: short stacking energy: -96.600
Base-Backbone interact. energy: 1.609
local terms energy: -112.301702
where:
bonds (distance) C4'-P energy: -23.207
bonds (distance) P-C4' energy: -26.143
flat angles C4'-P-C4' energy: -30.918
flat angles P-C4'-P energy: -17.351
tors. eta vs tors. theta energy: -14.682
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: 3
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -314.632732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.632732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.632732 (E_RNA)
where:
Base-Base interactions energy: -188.066
where: short stacking energy: -86.224
Base-Backbone interact. energy: 0.876
local terms energy: -127.443051
where:
bonds (distance) C4'-P energy: -30.354
bonds (distance) P-C4' energy: -37.106
flat angles C4'-P-C4' energy: -29.335
flat angles P-C4'-P energy: -11.280
tors. eta vs tors. theta energy: -19.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -168.736340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.736340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.736340 (E_RNA)
where:
Base-Base interactions energy: -79.532
where: short stacking energy: -61.329
Base-Backbone interact. energy: 2.606
local terms energy: -91.810798
where:
bonds (distance) C4'-P energy: -29.348
bonds (distance) P-C4' energy: -34.124
flat angles C4'-P-C4' energy: -17.858
flat angles P-C4'-P energy: -6.729
tors. eta vs tors. theta energy: -3.751
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: 5
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -569.395101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.395101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.395101 (E_RNA)
where:
Base-Base interactions energy: -375.261
where: short stacking energy: -184.678
Base-Backbone interact. energy: -0.121
local terms energy: -194.013096
where:
bonds (distance) C4'-P energy: -33.853
bonds (distance) P-C4' energy: -34.451
flat angles C4'-P-C4' energy: -36.975
flat angles P-C4'-P energy: -32.770
tors. eta vs tors. theta energy: -55.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -535.107780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.107780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.107780 (E_RNA)
where:
Base-Base interactions energy: -362.229
where: short stacking energy: -168.009
Base-Backbone interact. energy: -0.867
local terms energy: -172.012265
where:
bonds (distance) C4'-P energy: -27.762
bonds (distance) P-C4' energy: -32.264
flat angles C4'-P-C4' energy: -40.909
flat angles P-C4'-P energy: -30.746
tors. eta vs tors. theta energy: -40.331
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: 174
Temperature: 1.000000
Total energy: -500.540175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.540175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.540175 (E_RNA)
where:
Base-Base interactions energy: -332.656
where: short stacking energy: -149.108
Base-Backbone interact. energy: 0.931
local terms energy: -168.814294
where:
bonds (distance) C4'-P energy: -35.186
bonds (distance) P-C4' energy: -33.058
flat angles C4'-P-C4' energy: -37.737
flat angles P-C4'-P energy: -23.452
tors. eta vs tors. theta energy: -39.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -438.454784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.454784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.454784 (E_RNA)
where:
Base-Base interactions energy: -279.479
where: short stacking energy: -121.292
Base-Backbone interact. energy: -1.884
local terms energy: -157.091908
where:
bonds (distance) C4'-P energy: -31.491
bonds (distance) P-C4' energy: -35.682
flat angles C4'-P-C4' energy: -40.421
flat angles P-C4'-P energy: -25.441
tors. eta vs tors. theta energy: -24.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -387.039587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.039587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.039587 (E_RNA)
where:
Base-Base interactions energy: -244.465
where: short stacking energy: -112.828
Base-Backbone interact. energy: 0.742
local terms energy: -143.316886
where:
bonds (distance) C4'-P energy: -32.115
bonds (distance) P-C4' energy: -25.721
flat angles C4'-P-C4' energy: -34.615
flat angles P-C4'-P energy: -18.726
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: 6, replica: 8
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -363.884196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.884196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.884196 (E_RNA)
where:
Base-Base interactions energy: -220.518
where: short stacking energy: -115.715
Base-Backbone interact. energy: -0.966
local terms energy: -142.400558
where:
bonds (distance) C4'-P energy: -33.925
bonds (distance) P-C4' energy: -31.422
flat angles C4'-P-C4' energy: -33.741
flat angles P-C4'-P energy: -18.328
tors. eta vs tors. theta energy: -24.984
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: 1
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -356.369751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.369751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.369751 (E_RNA)
where:
Base-Base interactions energy: -223.222
where: short stacking energy: -126.395
Base-Backbone interact. energy: -0.802
local terms energy: -132.346299
where:
bonds (distance) C4'-P energy: -28.334
bonds (distance) P-C4' energy: -32.561
flat angles C4'-P-C4' energy: -31.819
flat angles P-C4'-P energy: -12.530
tors. eta vs tors. theta energy: -27.102
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: 2
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -336.344281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.344281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.344281 (E_RNA)
where:
Base-Base interactions energy: -206.139
where: short stacking energy: -115.072
Base-Backbone interact. energy: -0.175
local terms energy: -130.030371
where:
bonds (distance) C4'-P energy: -36.259
bonds (distance) P-C4' energy: -24.060
flat angles C4'-P-C4' energy: -24.320
flat angles P-C4'-P energy: -19.470
tors. eta vs tors. theta energy: -25.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -304.676150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.676150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.676150 (E_RNA)
where:
Base-Base interactions energy: -203.299
where: short stacking energy: -97.268
Base-Backbone interact. energy: -0.732
local terms energy: -100.644932
where:
bonds (distance) C4'-P energy: -8.218
bonds (distance) P-C4' energy: -33.277
flat angles C4'-P-C4' energy: -20.771
flat angles P-C4'-P energy: -24.882
tors. eta vs tors. theta energy: -13.497
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: 7
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -154.760283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.760283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.760283 (E_RNA)
where:
Base-Base interactions energy: -55.136
where: short stacking energy: -49.501
Base-Backbone interact. energy: -0.898
local terms energy: -98.726468
where:
bonds (distance) C4'-P energy: -27.858
bonds (distance) P-C4' energy: -30.993
flat angles C4'-P-C4' energy: -23.322
flat angles P-C4'-P energy: -16.907
tors. eta vs tors. theta energy: 0.353
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: 5
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -553.694953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.694953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.694953 (E_RNA)
where:
Base-Base interactions energy: -364.860
where: short stacking energy: -179.602
Base-Backbone interact. energy: 0.476
local terms energy: -189.310491
where:
bonds (distance) C4'-P energy: -34.585
bonds (distance) P-C4' energy: -38.220
flat angles C4'-P-C4' energy: -36.432
flat angles P-C4'-P energy: -25.314
tors. eta vs tors. theta energy: -54.759
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: 6
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -530.948611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.948611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.948611 (E_RNA)
where:
Base-Base interactions energy: -361.676
where: short stacking energy: -153.584
Base-Backbone interact. energy: -0.016
local terms energy: -169.256309
where:
bonds (distance) C4'-P energy: -37.263
bonds (distance) P-C4' energy: -34.013
flat angles C4'-P-C4' energy: -33.168
flat angles P-C4'-P energy: -24.994
tors. eta vs tors. theta energy: -39.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -490.034860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.034860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.034860 (E_RNA)
where:
Base-Base interactions energy: -327.068
where: short stacking energy: -134.288
Base-Backbone interact. energy: -0.476
local terms energy: -162.490129
where:
bonds (distance) C4'-P energy: -36.522
bonds (distance) P-C4' energy: -34.005
flat angles C4'-P-C4' energy: -40.297
flat angles P-C4'-P energy: -23.028
tors. eta vs tors. theta energy: -28.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -441.808111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.808111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.808111 (E_RNA)
where:
Base-Base interactions energy: -282.670
where: short stacking energy: -149.133
Base-Backbone interact. energy: 1.823
local terms energy: -160.961022
where:
bonds (distance) C4'-P energy: -30.702
bonds (distance) P-C4' energy: -35.099
flat angles C4'-P-C4' energy: -37.757
flat angles P-C4'-P energy: -22.705
tors. eta vs tors. theta energy: -34.698
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: 10
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -413.509766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.509766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.509766 (E_RNA)
where:
Base-Base interactions energy: -274.718
where: short stacking energy: -134.340
Base-Backbone interact. energy: -0.668
local terms energy: -138.123881
where:
bonds (distance) C4'-P energy: -36.236
bonds (distance) P-C4' energy: -30.869
flat angles C4'-P-C4' energy: -23.632
flat angles P-C4'-P energy: -23.089
tors. eta vs tors. theta energy: -24.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -352.583869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.583869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.583869 (E_RNA)
where:
Base-Base interactions energy: -230.044
where: short stacking energy: -110.579
Base-Backbone interact. energy: 1.357
local terms energy: -123.896576
where:
bonds (distance) C4'-P energy: -27.757
bonds (distance) P-C4' energy: -30.640
flat angles C4'-P-C4' energy: -24.119
flat angles P-C4'-P energy: -19.042
tors. eta vs tors. theta energy: -22.338
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: 8
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -348.309953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.309953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.309953 (E_RNA)
where:
Base-Base interactions energy: -228.113
where: short stacking energy: -116.407
Base-Backbone interact. energy: -0.032
local terms energy: -120.164845
where:
bonds (distance) C4'-P energy: -23.871
bonds (distance) P-C4' energy: -31.361
flat angles C4'-P-C4' energy: -22.847
flat angles P-C4'-P energy: -15.729
tors. eta vs tors. theta energy: -26.357
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: 3
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -315.812996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.812996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.812996 (E_RNA)
where:
Base-Base interactions energy: -188.961
where: short stacking energy: -83.260
Base-Backbone interact. energy: 1.475
local terms energy: -128.326530
where:
bonds (distance) C4'-P energy: -27.308
bonds (distance) P-C4' energy: -28.959
flat angles C4'-P-C4' energy: -32.292
flat angles P-C4'-P energy: -20.699
tors. eta vs tors. theta energy: -19.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -321.140611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.140611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.140611 (E_RNA)
where:
Base-Base interactions energy: -195.786
where: short stacking energy: -91.805
Base-Backbone interact. energy: 0.521
local terms energy: -125.876030
where:
bonds (distance) C4'-P energy: -32.241
bonds (distance) P-C4' energy: -30.850
flat angles C4'-P-C4' energy: -26.635
flat angles P-C4'-P energy: -18.693
tors. eta vs tors. theta energy: -17.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -162.279126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.279126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.279126 (E_RNA)
where:
Base-Base interactions energy: -58.319
where: short stacking energy: -52.597
Base-Backbone interact. energy: -0.537
local terms energy: -103.423437
where:
bonds (distance) C4'-P energy: -24.644
bonds (distance) P-C4' energy: -32.238
flat angles C4'-P-C4' energy: -25.000
flat angles P-C4'-P energy: -17.806
tors. eta vs tors. theta energy: -3.736
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: 5
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -566.089418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.089418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.089418 (E_RNA)
where:
Base-Base interactions energy: -375.745
where: short stacking energy: -194.659
Base-Backbone interact. energy: -0.676
local terms energy: -189.668392
where:
bonds (distance) C4'-P energy: -35.657
bonds (distance) P-C4' energy: -30.988
flat angles C4'-P-C4' energy: -38.522
flat angles P-C4'-P energy: -26.792
tors. eta vs tors. theta energy: -57.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -531.956247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.956247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.956247 (E_RNA)
where:
Base-Base interactions energy: -355.922
where: short stacking energy: -154.635
Base-Backbone interact. energy: -0.681
local terms energy: -175.353204
where:
bonds (distance) C4'-P energy: -35.087
bonds (distance) P-C4' energy: -30.961
flat angles C4'-P-C4' energy: -40.626
flat angles P-C4'-P energy: -28.400
tors. eta vs tors. theta energy: -40.279
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: 176
Temperature: 1.000000
Total energy: -475.861799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.861799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.861799 (E_RNA)
where:
Base-Base interactions energy: -312.123
where: short stacking energy: -147.842
Base-Backbone interact. energy: -0.683
local terms energy: -163.055638
where:
bonds (distance) C4'-P energy: -32.153
bonds (distance) P-C4' energy: -30.490
flat angles C4'-P-C4' energy: -36.014
flat angles P-C4'-P energy: -20.846
tors. eta vs tors. theta energy: -43.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -442.047564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.047564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.047564 (E_RNA)
where:
Base-Base interactions energy: -288.381
where: short stacking energy: -133.792
Base-Backbone interact. energy: -0.767
local terms energy: -152.899876
where:
bonds (distance) C4'-P energy: -32.818
bonds (distance) P-C4' energy: -33.348
flat angles C4'-P-C4' energy: -37.648
flat angles P-C4'-P energy: -20.292
tors. eta vs tors. theta energy: -28.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -427.439426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.439426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.439426 (E_RNA)
where:
Base-Base interactions energy: -268.395
where: short stacking energy: -112.572
Base-Backbone interact. energy: 0.562
local terms energy: -159.606518
where:
bonds (distance) C4'-P energy: -35.831
bonds (distance) P-C4' energy: -34.222
flat angles C4'-P-C4' energy: -37.720
flat angles P-C4'-P energy: -23.910
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: 6, replica: 1
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -370.872775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.872775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.872775 (E_RNA)
where:
Base-Base interactions energy: -231.955
where: short stacking energy: -126.633
Base-Backbone interact. energy: -0.765
local terms energy: -138.152105
where:
bonds (distance) C4'-P energy: -23.827
bonds (distance) P-C4' energy: -29.582
flat angles C4'-P-C4' energy: -36.997
flat angles P-C4'-P energy: -18.008
tors. eta vs tors. theta energy: -29.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -322.008979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.008979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.008979 (E_RNA)
where:
Base-Base interactions energy: -201.659
where: short stacking energy: -105.045
Base-Backbone interact. energy: 0.695
local terms energy: -121.044952
where:
bonds (distance) C4'-P energy: -26.239
bonds (distance) P-C4' energy: -30.647
flat angles C4'-P-C4' energy: -31.896
flat angles P-C4'-P energy: -20.971
tors. eta vs tors. theta energy: -11.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -304.667322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.667322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.667322 (E_RNA)
where:
Base-Base interactions energy: -188.438
where: short stacking energy: -92.450
Base-Backbone interact. energy: -0.528
local terms energy: -115.701669
where:
bonds (distance) C4'-P energy: -13.006
bonds (distance) P-C4' energy: -28.141
flat angles C4'-P-C4' energy: -24.895
flat angles P-C4'-P energy: -25.719
tors. eta vs tors. theta energy: -23.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -289.845975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.845975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.845975 (E_RNA)
where:
Base-Base interactions energy: -180.059
where: short stacking energy: -85.061
Base-Backbone interact. energy: 0.300
local terms energy: -110.087065
where:
bonds (distance) C4'-P energy: -30.411
bonds (distance) P-C4' energy: -32.477
flat angles C4'-P-C4' energy: -23.769
flat angles P-C4'-P energy: -9.721
tors. eta vs tors. theta energy: -13.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -189.580838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.580838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.580838 (E_RNA)
where:
Base-Base interactions energy: -102.763
where: short stacking energy: -66.951
Base-Backbone interact. energy: -0.734
local terms energy: -86.084240
where:
bonds (distance) C4'-P energy: -19.452
bonds (distance) P-C4' energy: -34.329
flat angles C4'-P-C4' energy: -23.974
flat angles P-C4'-P energy: -10.119
tors. eta vs tors. theta energy: 1.790
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: 5
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -559.655545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.655545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.655545 (E_RNA)
where:
Base-Base interactions energy: -373.791
where: short stacking energy: -190.089
Base-Backbone interact. energy: 0.098
local terms energy: -185.962634
where:
bonds (distance) C4'-P energy: -28.533
bonds (distance) P-C4' energy: -34.149
flat angles C4'-P-C4' energy: -37.724
flat angles P-C4'-P energy: -30.257
tors. eta vs tors. theta energy: -55.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -527.304387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.304387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.304387 (E_RNA)
where:
Base-Base interactions energy: -344.660
where: short stacking energy: -160.889
Base-Backbone interact. energy: -0.474
local terms energy: -182.170327
where:
bonds (distance) C4'-P energy: -33.900
bonds (distance) P-C4' energy: -36.175
flat angles C4'-P-C4' energy: -36.092
flat angles P-C4'-P energy: -29.224
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: 3, replica: 9
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -467.064515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.064515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.064515 (E_RNA)
where:
Base-Base interactions energy: -321.041
where: short stacking energy: -133.009
Base-Backbone interact. energy: -1.099
local terms energy: -144.924305
where:
bonds (distance) C4'-P energy: -25.779
bonds (distance) P-C4' energy: -31.141
flat angles C4'-P-C4' energy: -34.761
flat angles P-C4'-P energy: -26.269
tors. eta vs tors. theta energy: -26.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -480.539243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.539243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.539243 (E_RNA)
where:
Base-Base interactions energy: -327.490
where: short stacking energy: -132.656
Base-Backbone interact. energy: -1.529
local terms energy: -151.520154
where:
bonds (distance) C4'-P energy: -29.669
bonds (distance) P-C4' energy: -32.480
flat angles C4'-P-C4' energy: -38.407
flat angles P-C4'-P energy: -19.022
tors. eta vs tors. theta energy: -31.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -450.719505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.719505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.719505 (E_RNA)
where:
Base-Base interactions energy: -310.077
where: short stacking energy: -133.381
Base-Backbone interact. energy: 0.209
local terms energy: -140.851881
where:
bonds (distance) C4'-P energy: -35.255
bonds (distance) P-C4' energy: -28.271
flat angles C4'-P-C4' energy: -34.991
flat angles P-C4'-P energy: -19.579
tors. eta vs tors. theta energy: -22.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -358.418998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.418998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.418998 (E_RNA)
where:
Base-Base interactions energy: -215.577
where: short stacking energy: -116.603
Base-Backbone interact. energy: -0.437
local terms energy: -142.404937
where:
bonds (distance) C4'-P energy: -21.916
bonds (distance) P-C4' energy: -36.518
flat angles C4'-P-C4' energy: -38.617
flat angles P-C4'-P energy: -22.069
tors. eta vs tors. theta energy: -23.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -322.772370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.772370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.772370 (E_RNA)
where:
Base-Base interactions energy: -194.870
where: short stacking energy: -91.596
Base-Backbone interact. energy: 0.890
local terms energy: -128.792615
where:
bonds (distance) C4'-P energy: -29.900
bonds (distance) P-C4' energy: -26.926
flat angles C4'-P-C4' energy: -30.117
flat angles P-C4'-P energy: -24.652
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: 8, replica: 3
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -308.970396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.970396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.970396 (E_RNA)
where:
Base-Base interactions energy: -192.020
where: short stacking energy: -90.039
Base-Backbone interact. energy: -0.624
local terms energy: -116.326371
where:
bonds (distance) C4'-P energy: -26.761
bonds (distance) P-C4' energy: -30.778
flat angles C4'-P-C4' energy: -20.680
flat angles P-C4'-P energy: -17.683
tors. eta vs tors. theta energy: -20.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -291.968971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.968971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.968971 (E_RNA)
where:
Base-Base interactions energy: -180.398
where: short stacking energy: -91.605
Base-Backbone interact. energy: 0.986
local terms energy: -112.556963
where:
bonds (distance) C4'-P energy: -24.645
bonds (distance) P-C4' energy: -29.456
flat angles C4'-P-C4' energy: -21.846
flat angles P-C4'-P energy: -16.994
tors. eta vs tors. theta energy: -19.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -221.429711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.429711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.429711 (E_RNA)
where:
Base-Base interactions energy: -115.240
where: short stacking energy: -57.893
Base-Backbone interact. energy: 2.967
local terms energy: -109.156715
where:
bonds (distance) C4'-P energy: -27.282
bonds (distance) P-C4' energy: -33.488
flat angles C4'-P-C4' energy: -28.601
flat angles P-C4'-P energy: -18.681
tors. eta vs tors. theta energy: -1.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -571.659437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.659437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.659437 (E_RNA)
where:
Base-Base interactions energy: -387.085
where: short stacking energy: -198.457
Base-Backbone interact. energy: -0.072
local terms energy: -184.503156
where:
bonds (distance) C4'-P energy: -33.370
bonds (distance) P-C4' energy: -30.072
flat angles C4'-P-C4' energy: -36.277
flat angles P-C4'-P energy: -26.878
tors. eta vs tors. theta energy: -57.906
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: 6
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -531.185361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.185361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.185361 (E_RNA)
where:
Base-Base interactions energy: -355.822
where: short stacking energy: -162.367
Base-Backbone interact. energy: -1.461
local terms energy: -173.901746
where:
bonds (distance) C4'-P energy: -31.058
bonds (distance) P-C4' energy: -34.681
flat angles C4'-P-C4' energy: -37.879
flat angles P-C4'-P energy: -25.531
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: 3, replica: 10
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -481.229200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.229200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.229200 (E_RNA)
where:
Base-Base interactions energy: -325.850
where: short stacking energy: -138.723
Base-Backbone interact. energy: 1.732
local terms energy: -157.110820
where:
bonds (distance) C4'-P energy: -26.900
bonds (distance) P-C4' energy: -35.534
flat angles C4'-P-C4' energy: -35.787
flat angles P-C4'-P energy: -26.617
tors. eta vs tors. theta energy: -32.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -455.473837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.473837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.473837 (E_RNA)
where:
Base-Base interactions energy: -308.972
where: short stacking energy: -124.489
Base-Backbone interact. energy: -1.141
local terms energy: -145.361130
where:
bonds (distance) C4'-P energy: -35.498
bonds (distance) P-C4' energy: -32.001
flat angles C4'-P-C4' energy: -32.278
flat angles P-C4'-P energy: -17.777
tors. eta vs tors. theta energy: -27.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -412.369772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.369772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.369772 (E_RNA)
where:
Base-Base interactions energy: -259.027
where: short stacking energy: -126.554
Base-Backbone interact. energy: -0.406
local terms energy: -152.936555
where:
bonds (distance) C4'-P energy: -27.826
bonds (distance) P-C4' energy: -36.443
flat angles C4'-P-C4' energy: -31.947
flat angles P-C4'-P energy: -24.627
tors. eta vs tors. theta energy: -32.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -358.730632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.730632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.730632 (E_RNA)
where:
Base-Base interactions energy: -211.470
where: short stacking energy: -107.993
Base-Backbone interact. energy: -0.805
local terms energy: -146.455687
where:
bonds (distance) C4'-P energy: -34.440
bonds (distance) P-C4' energy: -38.723
flat angles C4'-P-C4' energy: -33.493
flat angles P-C4'-P energy: -19.399
tors. eta vs tors. theta energy: -20.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -355.724590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.724590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.724590 (E_RNA)
where:
Base-Base interactions energy: -222.195
where: short stacking energy: -92.954
Base-Backbone interact. energy: -0.864
local terms energy: -132.665541
where:
bonds (distance) C4'-P energy: -20.412
bonds (distance) P-C4' energy: -36.357
flat angles C4'-P-C4' energy: -35.225
flat angles P-C4'-P energy: -21.649
tors. eta vs tors. theta energy: -19.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -334.238148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.238148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.238148 (E_RNA)
where:
Base-Base interactions energy: -205.006
where: short stacking energy: -104.161
Base-Backbone interact. energy: -0.665
local terms energy: -128.567316
where:
bonds (distance) C4'-P energy: -27.577
bonds (distance) P-C4' energy: -30.540
flat angles C4'-P-C4' energy: -28.866
flat angles P-C4'-P energy: -16.967
tors. eta vs tors. theta energy: -24.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -309.416484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.416484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.416484 (E_RNA)
where:
Base-Base interactions energy: -190.534
where: short stacking energy: -96.701
Base-Backbone interact. energy: -1.543
local terms energy: -117.339498
where:
bonds (distance) C4'-P energy: -33.821
bonds (distance) P-C4' energy: -23.661
flat angles C4'-P-C4' energy: -22.550
flat angles P-C4'-P energy: -18.063
tors. eta vs tors. theta energy: -19.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -227.636162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.636162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.636162 (E_RNA)
where:
Base-Base interactions energy: -113.773
where: short stacking energy: -61.709
Base-Backbone interact. energy: 0.370
local terms energy: -114.232780
where:
bonds (distance) C4'-P energy: -37.358
bonds (distance) P-C4' energy: -29.363
flat angles C4'-P-C4' energy: -28.101
flat angles P-C4'-P energy: -10.262
tors. eta vs tors. theta energy: -9.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -566.069584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.069584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.069584 (E_RNA)
where:
Base-Base interactions energy: -370.692
where: short stacking energy: -183.196
Base-Backbone interact. energy: -0.029
local terms energy: -195.348314
where:
bonds (distance) C4'-P energy: -32.964
bonds (distance) P-C4' energy: -37.113
flat angles C4'-P-C4' energy: -40.266
flat angles P-C4'-P energy: -28.953
tors. eta vs tors. theta energy: -56.053
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: 6
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -527.816530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.816530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.816530 (E_RNA)
where:
Base-Base interactions energy: -360.459
where: short stacking energy: -162.300
Base-Backbone interact. energy: -0.714
local terms energy: -166.643061
where:
bonds (distance) C4'-P energy: -28.978
bonds (distance) P-C4' energy: -36.943
flat angles C4'-P-C4' energy: -36.944
flat angles P-C4'-P energy: -23.582
tors. eta vs tors. theta energy: -40.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -488.236396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.236396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.236396 (E_RNA)
where:
Base-Base interactions energy: -336.936
where: short stacking energy: -145.955
Base-Backbone interact. energy: -2.152
local terms energy: -149.147976
where:
bonds (distance) C4'-P energy: -29.965
bonds (distance) P-C4' energy: -31.701
flat angles C4'-P-C4' energy: -38.371
flat angles P-C4'-P energy: -17.261
tors. eta vs tors. theta energy: -31.850
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: 4, replica: 9
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -439.502979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.502979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.502979 (E_RNA)
where:
Base-Base interactions energy: -288.135
where: short stacking energy: -131.509
Base-Backbone interact. energy: -0.695
local terms energy: -150.673031
where:
bonds (distance) C4'-P energy: -29.281
bonds (distance) P-C4' energy: -31.790
flat angles C4'-P-C4' energy: -34.881
flat angles P-C4'-P energy: -21.385
tors. eta vs tors. theta energy: -33.337
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: 5, replica: 4
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -429.225423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.225423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.225423 (E_RNA)
where:
Base-Base interactions energy: -284.632
where: short stacking energy: -132.567
Base-Backbone interact. energy: -1.016
local terms energy: -143.577265
where:
bonds (distance) C4'-P energy: -24.441
bonds (distance) P-C4' energy: -30.252
flat angles C4'-P-C4' energy: -35.846
flat angles P-C4'-P energy: -24.823
tors. eta vs tors. theta energy: -28.215
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: 1
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -351.939490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.939490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.939490 (E_RNA)
where:
Base-Base interactions energy: -220.039
where: short stacking energy: -115.224
Base-Backbone interact. energy: 0.125
local terms energy: -132.025167
where:
bonds (distance) C4'-P energy: -31.356
bonds (distance) P-C4' energy: -32.811
flat angles C4'-P-C4' energy: -31.130
flat angles P-C4'-P energy: -14.479
tors. eta vs tors. theta energy: -22.249
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: 7, replica: 8
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -361.321656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.321656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.321656 (E_RNA)
where:
Base-Base interactions energy: -215.568
where: short stacking energy: -104.676
Base-Backbone interact. energy: -0.295
local terms energy: -145.458276
where:
bonds (distance) C4'-P energy: -27.687
bonds (distance) P-C4' energy: -35.217
flat angles C4'-P-C4' energy: -34.416
flat angles P-C4'-P energy: -21.105
tors. eta vs tors. theta energy: -27.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -320.357234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.357234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.357234 (E_RNA)
where:
Base-Base interactions energy: -194.867
where: short stacking energy: -102.886
Base-Backbone interact. energy: -0.309
local terms energy: -125.180943
where:
bonds (distance) C4'-P energy: -24.154
bonds (distance) P-C4' energy: -37.336
flat angles C4'-P-C4' energy: -25.705
flat angles P-C4'-P energy: -20.476
tors. eta vs tors. theta energy: -17.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -317.453123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.453123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.453123 (E_RNA)
where:
Base-Base interactions energy: -176.932
where: short stacking energy: -85.862
Base-Backbone interact. energy: -1.909
local terms energy: -138.612052
where:
bonds (distance) C4'-P energy: -33.027
bonds (distance) P-C4' energy: -33.257
flat angles C4'-P-C4' energy: -32.961
flat angles P-C4'-P energy: -24.833
tors. eta vs tors. theta energy: -14.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -205.619469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.619469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.619469 (E_RNA)
where:
Base-Base interactions energy: -109.492
where: short stacking energy: -60.074
Base-Backbone interact. energy: -0.645
local terms energy: -95.482712
where:
bonds (distance) C4'-P energy: -23.651
bonds (distance) P-C4' energy: -26.556
flat angles C4'-P-C4' energy: -25.388
flat angles P-C4'-P energy: -16.537
tors. eta vs tors. theta energy: -3.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -544.479238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.479238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.479238 (E_RNA)
where:
Base-Base interactions energy: -359.762
where: short stacking energy: -166.902
Base-Backbone interact. energy: -1.047
local terms energy: -183.670196
where:
bonds (distance) C4'-P energy: -38.672
bonds (distance) P-C4' energy: -35.000
flat angles C4'-P-C4' energy: -36.064
flat angles P-C4'-P energy: -31.693
tors. eta vs tors. theta energy: -42.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -553.951816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.951816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.951816 (E_RNA)
where:
Base-Base interactions energy: -360.803
where: short stacking energy: -184.510
Base-Backbone interact. energy: -0.182
local terms energy: -192.966463
where:
bonds (distance) C4'-P energy: -34.711
bonds (distance) P-C4' energy: -37.475
flat angles C4'-P-C4' energy: -37.011
flat angles P-C4'-P energy: -28.050
tors. eta vs tors. theta energy: -55.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -494.837476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.837476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.837476 (E_RNA)
where:
Base-Base interactions energy: -341.860
where: short stacking energy: -148.556
Base-Backbone interact. energy: 0.034
local terms energy: -153.011897
where:
bonds (distance) C4'-P energy: -35.180
bonds (distance) P-C4' energy: -28.387
flat angles C4'-P-C4' energy: -28.922
flat angles P-C4'-P energy: -22.038
tors. eta vs tors. theta energy: -38.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -465.712906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.712906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.712906 (E_RNA)
where:
Base-Base interactions energy: -324.740
where: short stacking energy: -138.324
Base-Backbone interact. energy: -0.960
local terms energy: -140.013088
where:
bonds (distance) C4'-P energy: -26.955
bonds (distance) P-C4' energy: -28.042
flat angles C4'-P-C4' energy: -35.121
flat angles P-C4'-P energy: -18.059
tors. eta vs tors. theta energy: -31.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -407.673368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.673368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.673368 (E_RNA)
where:
Base-Base interactions energy: -264.386
where: short stacking energy: -126.606
Base-Backbone interact. energy: -0.382
local terms energy: -142.905188
where:
bonds (distance) C4'-P energy: -29.673
bonds (distance) P-C4' energy: -34.340
flat angles C4'-P-C4' energy: -33.953
flat angles P-C4'-P energy: -21.086
tors. eta vs tors. theta energy: -23.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -357.175411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.175411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.175411 (E_RNA)
where:
Base-Base interactions energy: -225.927
where: short stacking energy: -117.307
Base-Backbone interact. energy: 1.518
local terms energy: -132.766552
where:
bonds (distance) C4'-P energy: -31.812
bonds (distance) P-C4' energy: -35.377
flat angles C4'-P-C4' energy: -22.569
flat angles P-C4'-P energy: -20.062
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: 7, replica: 2
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -350.552272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.552272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.552272 (E_RNA)
where:
Base-Base interactions energy: -221.785
where: short stacking energy: -104.121
Base-Backbone interact. energy: -1.047
local terms energy: -127.720475
where:
bonds (distance) C4'-P energy: -29.710
bonds (distance) P-C4' energy: -30.184
flat angles C4'-P-C4' energy: -28.705
flat angles P-C4'-P energy: -17.920
tors. eta vs tors. theta energy: -21.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -326.724969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.724969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.724969 (E_RNA)
where:
Base-Base interactions energy: -196.737
where: short stacking energy: -91.912
Base-Backbone interact. energy: -0.198
local terms energy: -129.789581
where:
bonds (distance) C4'-P energy: -27.766
bonds (distance) P-C4' energy: -35.358
flat angles C4'-P-C4' energy: -27.336
flat angles P-C4'-P energy: -15.972
tors. eta vs tors. theta energy: -23.358
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: 9, replica: 3
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -306.278338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.278338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.278338 (E_RNA)
where:
Base-Base interactions energy: -188.609
where: short stacking energy: -93.984
Base-Backbone interact. energy: -0.580
local terms energy: -117.089664
where:
bonds (distance) C4'-P energy: -23.938
bonds (distance) P-C4' energy: -34.854
flat angles C4'-P-C4' energy: -25.443
flat angles P-C4'-P energy: -16.450
tors. eta vs tors. theta energy: -16.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -230.909284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.909284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.909284 (E_RNA)
where:
Base-Base interactions energy: -121.489
where: short stacking energy: -73.441
Base-Backbone interact. energy: -0.320
local terms energy: -109.100194
where:
bonds (distance) C4'-P energy: -28.611
bonds (distance) P-C4' energy: -27.681
flat angles C4'-P-C4' energy: -20.522
flat angles P-C4'-P energy: -18.408
tors. eta vs tors. theta energy: -13.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -560.900055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.900055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.900055 (E_RNA)
where:
Base-Base interactions energy: -373.705
where: short stacking energy: -178.970
Base-Backbone interact. energy: -1.483
local terms energy: -185.712168
where:
bonds (distance) C4'-P energy: -34.183
bonds (distance) P-C4' energy: -38.370
flat angles C4'-P-C4' energy: -41.343
flat angles P-C4'-P energy: -22.821
tors. eta vs tors. theta energy: -48.995
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: 2, replica: 5
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -549.124504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.124504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.124504 (E_RNA)
where:
Base-Base interactions energy: -362.136
where: short stacking energy: -170.888
Base-Backbone interact. energy: -0.070
local terms energy: -186.918589
where:
bonds (distance) C4'-P energy: -29.086
bonds (distance) P-C4' energy: -38.378
flat angles C4'-P-C4' energy: -37.262
flat angles P-C4'-P energy: -23.544
tors. eta vs tors. theta energy: -58.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -479.090613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.090613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.090613 (E_RNA)
where:
Base-Base interactions energy: -324.557
where: short stacking energy: -147.598
Base-Backbone interact. energy: 0.222
local terms energy: -154.755890
where:
bonds (distance) C4'-P energy: -28.528
bonds (distance) P-C4' energy: -27.685
flat angles C4'-P-C4' energy: -32.395
flat angles P-C4'-P energy: -26.112
tors. eta vs tors. theta energy: -40.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -471.974125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.974125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.974125 (E_RNA)
where:
Base-Base interactions energy: -324.573
where: short stacking energy: -134.385
Base-Backbone interact. energy: -1.570
local terms energy: -145.830389
where:
bonds (distance) C4'-P energy: -28.250
bonds (distance) P-C4' energy: -39.043
flat angles C4'-P-C4' energy: -32.673
flat angles P-C4'-P energy: -16.454
tors. eta vs tors. theta energy: -29.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -421.050122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.050122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.050122 (E_RNA)
where:
Base-Base interactions energy: -278.608
where: short stacking energy: -131.956
Base-Backbone interact. energy: -0.675
local terms energy: -141.767695
where:
bonds (distance) C4'-P energy: -28.501
bonds (distance) P-C4' energy: -23.644
flat angles C4'-P-C4' energy: -38.052
flat angles P-C4'-P energy: -25.333
tors. eta vs tors. theta energy: -26.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -364.618859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.618859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.618859 (E_RNA)
where:
Base-Base interactions energy: -226.049
where: short stacking energy: -115.665
Base-Backbone interact. energy: -0.708
local terms energy: -137.862295
where:
bonds (distance) C4'-P energy: -27.513
bonds (distance) P-C4' energy: -33.370
flat angles C4'-P-C4' energy: -35.129
flat angles P-C4'-P energy: -23.624
tors. eta vs tors. theta energy: -18.226
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: 1
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -348.265710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.265710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.265710 (E_RNA)
where:
Base-Base interactions energy: -221.433
where: short stacking energy: -110.340
Base-Backbone interact. energy: 0.998
local terms energy: -127.830111
where:
bonds (distance) C4'-P energy: -27.108
bonds (distance) P-C4' energy: -25.741
flat angles C4'-P-C4' energy: -29.349
flat angles P-C4'-P energy: -17.544
tors. eta vs tors. theta energy: -28.088
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: 3
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -328.461067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.461067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.461067 (E_RNA)
where:
Base-Base interactions energy: -204.660
where: short stacking energy: -100.400
Base-Backbone interact. energy: -0.138
local terms energy: -123.663439
where:
bonds (distance) C4'-P energy: -34.171
bonds (distance) P-C4' energy: -29.389
flat angles C4'-P-C4' energy: -25.500
flat angles P-C4'-P energy: -15.449
tors. eta vs tors. theta energy: -19.155
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: 8
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -314.936281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.936281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.936281 (E_RNA)
where:
Base-Base interactions energy: -193.544
where: short stacking energy: -87.410
Base-Backbone interact. energy: -1.197
local terms energy: -120.194992
where:
bonds (distance) C4'-P energy: -35.767
bonds (distance) P-C4' energy: -26.299
flat angles C4'-P-C4' energy: -25.988
flat angles P-C4'-P energy: -10.381
tors. eta vs tors. theta energy: -21.760
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: 181
Temperature: 1.350000
Total energy: -240.668996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.668996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.668996 (E_RNA)
where:
Base-Base interactions energy: -121.626
where: short stacking energy: -65.426
Base-Backbone interact. energy: -0.393
local terms energy: -118.650263
where:
bonds (distance) C4'-P energy: -28.163
bonds (distance) P-C4' energy: -30.832
flat angles C4'-P-C4' energy: -31.139
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -10.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -542.860052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.860052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.860052 (E_RNA)
where:
Base-Base interactions energy: -366.361
where: short stacking energy: -167.811
Base-Backbone interact. energy: -0.565
local terms energy: -175.934220
where:
bonds (distance) C4'-P energy: -34.473
bonds (distance) P-C4' energy: -36.490
flat angles C4'-P-C4' energy: -37.921
flat angles P-C4'-P energy: -21.001
tors. eta vs tors. theta energy: -46.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -532.493453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.493453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.493453 (E_RNA)
where:
Base-Base interactions energy: -367.247
where: short stacking energy: -185.825
Base-Backbone interact. energy: -0.164
local terms energy: -165.082420
where:
bonds (distance) C4'-P energy: -29.173
bonds (distance) P-C4' energy: -28.710
flat angles C4'-P-C4' energy: -34.490
flat angles P-C4'-P energy: -22.024
tors. eta vs tors. theta energy: -50.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -485.066109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.066109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.066109 (E_RNA)
where:
Base-Base interactions energy: -316.872
where: short stacking energy: -147.851
Base-Backbone interact. energy: -0.107
local terms energy: -168.087158
where:
bonds (distance) C4'-P energy: -27.575
bonds (distance) P-C4' energy: -36.324
flat angles C4'-P-C4' energy: -36.589
flat angles P-C4'-P energy: -30.086
tors. eta vs tors. theta energy: -37.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -464.955131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.955131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.955131 (E_RNA)
where:
Base-Base interactions energy: -321.615
where: short stacking energy: -137.854
Base-Backbone interact. energy: -1.760
local terms energy: -141.580355
where:
bonds (distance) C4'-P energy: -21.968
bonds (distance) P-C4' energy: -32.796
flat angles C4'-P-C4' energy: -37.953
flat angles P-C4'-P energy: -21.384
tors. eta vs tors. theta energy: -27.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -440.236842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.236842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.236842 (E_RNA)
where:
Base-Base interactions energy: -277.396
where: short stacking energy: -132.024
Base-Backbone interact. energy: -1.006
local terms energy: -161.835743
where:
bonds (distance) C4'-P energy: -31.157
bonds (distance) P-C4' energy: -36.421
flat angles C4'-P-C4' energy: -40.915
flat angles P-C4'-P energy: -21.182
tors. eta vs tors. theta energy: -32.161
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: 2
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -357.240296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.240296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.240296 (E_RNA)
where:
Base-Base interactions energy: -229.236
where: short stacking energy: -101.995
Base-Backbone interact. energy: -0.567
local terms energy: -127.437353
where:
bonds (distance) C4'-P energy: -35.376
bonds (distance) P-C4' energy: -27.785
flat angles C4'-P-C4' energy: -27.775
flat angles P-C4'-P energy: -21.638
tors. eta vs tors. theta energy: -14.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -346.050890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.050890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.050890 (E_RNA)
where:
Base-Base interactions energy: -210.635
where: short stacking energy: -103.669
Base-Backbone interact. energy: 0.665
local terms energy: -136.080425
where:
bonds (distance) C4'-P energy: -30.086
bonds (distance) P-C4' energy: -30.991
flat angles C4'-P-C4' energy: -33.600
flat angles P-C4'-P energy: -19.656
tors. eta vs tors. theta energy: -21.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -347.026198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.026198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.026198 (E_RNA)
where:
Base-Base interactions energy: -224.090
where: short stacking energy: -105.441
Base-Backbone interact. energy: -0.643
local terms energy: -122.293377
where:
bonds (distance) C4'-P energy: -22.264
bonds (distance) P-C4' energy: -30.322
flat angles C4'-P-C4' energy: -28.001
flat angles P-C4'-P energy: -18.232
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: 7
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -220.557647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.557647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.557647 (E_RNA)
where:
Base-Base interactions energy: -129.919
where: short stacking energy: -83.741
Base-Backbone interact. energy: 0.144
local terms energy: -90.782503
where:
bonds (distance) C4'-P energy: -26.956
bonds (distance) P-C4' energy: -24.548
flat angles C4'-P-C4' energy: -18.105
flat angles P-C4'-P energy: -7.628
tors. eta vs tors. theta energy: -13.546
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: 10, replica: 8
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -305.095726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.095726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.095726 (E_RNA)
where:
Base-Base interactions energy: -189.534
where: short stacking energy: -100.280
Base-Backbone interact. energy: -0.650
local terms energy: -114.911959
where:
bonds (distance) C4'-P energy: -23.177
bonds (distance) P-C4' energy: -33.819
flat angles C4'-P-C4' energy: -20.408
flat angles P-C4'-P energy: -17.699
tors. eta vs tors. theta energy: -19.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -532.579298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.579298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.579298 (E_RNA)
where:
Base-Base interactions energy: -353.051
where: short stacking energy: -167.995
Base-Backbone interact. energy: -0.839
local terms energy: -178.689488
where:
bonds (distance) C4'-P energy: -28.876
bonds (distance) P-C4' energy: -35.987
flat angles C4'-P-C4' energy: -37.297
flat angles P-C4'-P energy: -32.832
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: 5
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -534.963395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.963395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.963395 (E_RNA)
where:
Base-Base interactions energy: -345.926
where: short stacking energy: -167.967
Base-Backbone interact. energy: -0.131
local terms energy: -188.906611
where:
bonds (distance) C4'-P energy: -32.670
bonds (distance) P-C4' energy: -37.484
flat angles C4'-P-C4' energy: -39.759
flat angles P-C4'-P energy: -29.676
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: 3, replica: 9
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -488.802704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.802704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.802704 (E_RNA)
where:
Base-Base interactions energy: -326.862
where: short stacking energy: -148.466
Base-Backbone interact. energy: -0.157
local terms energy: -161.783855
where:
bonds (distance) C4'-P energy: -31.740
bonds (distance) P-C4' energy: -29.967
flat angles C4'-P-C4' energy: -40.908
flat angles P-C4'-P energy: -22.105
tors. eta vs tors. theta energy: -37.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -444.848629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.848629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.848629 (E_RNA)
where:
Base-Base interactions energy: -293.542
where: short stacking energy: -129.047
Base-Backbone interact. energy: -0.551
local terms energy: -150.755467
where:
bonds (distance) C4'-P energy: -29.065
bonds (distance) P-C4' energy: -33.542
flat angles C4'-P-C4' energy: -35.461
flat angles P-C4'-P energy: -26.914
tors. eta vs tors. theta energy: -25.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -465.793594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.793594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.793594 (E_RNA)
where:
Base-Base interactions energy: -309.198
where: short stacking energy: -136.516
Base-Backbone interact. energy: 0.307
local terms energy: -156.902580
where:
bonds (distance) C4'-P energy: -26.645
bonds (distance) P-C4' energy: -35.069
flat angles C4'-P-C4' energy: -35.848
flat angles P-C4'-P energy: -24.631
tors. eta vs tors. theta energy: -34.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -366.815801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.815801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.815801 (E_RNA)
where:
Base-Base interactions energy: -237.789
where: short stacking energy: -107.913
Base-Backbone interact. energy: 0.476
local terms energy: -129.503419
where:
bonds (distance) C4'-P energy: -26.250
bonds (distance) P-C4' energy: -39.655
flat angles C4'-P-C4' energy: -32.566
flat angles P-C4'-P energy: -16.924
tors. eta vs tors. theta energy: -14.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -358.871007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.871007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.871007 (E_RNA)
where:
Base-Base interactions energy: -221.703
where: short stacking energy: -101.633
Base-Backbone interact. energy: -1.492
local terms energy: -135.675525
where:
bonds (distance) C4'-P energy: -30.691
bonds (distance) P-C4' energy: -37.085
flat angles C4'-P-C4' energy: -19.838
flat angles P-C4'-P energy: -21.595
tors. eta vs tors. theta energy: -26.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -323.658821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.658821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.658821 (E_RNA)
where:
Base-Base interactions energy: -196.583
where: short stacking energy: -95.802
Base-Backbone interact. energy: -0.432
local terms energy: -126.643734
where:
bonds (distance) C4'-P energy: -28.497
bonds (distance) P-C4' energy: -34.090
flat angles C4'-P-C4' energy: -28.290
flat angles P-C4'-P energy: -19.331
tors. eta vs tors. theta energy: -16.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -251.109971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.109971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.109971 (E_RNA)
where:
Base-Base interactions energy: -122.401
where: short stacking energy: -75.103
Base-Backbone interact. energy: -1.103
local terms energy: -127.605436
where:
bonds (distance) C4'-P energy: -27.133
bonds (distance) P-C4' energy: -30.736
flat angles C4'-P-C4' energy: -27.441
flat angles P-C4'-P energy: -22.258
tors. eta vs tors. theta energy: -20.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -284.368875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.368875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.368875 (E_RNA)
where:
Base-Base interactions energy: -179.386
where: short stacking energy: -73.828
Base-Backbone interact. energy: 3.193
local terms energy: -108.175864
where:
bonds (distance) C4'-P energy: -19.690
bonds (distance) P-C4' energy: -33.421
flat angles C4'-P-C4' energy: -24.608
flat angles P-C4'-P energy: -25.643
tors. eta vs tors. theta energy: -4.815
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: 6
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -531.859582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.859582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.859582 (E_RNA)
where:
Base-Base interactions energy: -352.351
where: short stacking energy: -164.418
Base-Backbone interact. energy: -0.914
local terms energy: -178.594726
where:
bonds (distance) C4'-P energy: -34.827
bonds (distance) P-C4' energy: -35.506
flat angles C4'-P-C4' energy: -37.068
flat angles P-C4'-P energy: -29.633
tors. eta vs tors. theta energy: -41.560
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: 5
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -558.439683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.439683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.439683 (E_RNA)
where:
Base-Base interactions energy: -362.006
where: short stacking energy: -179.454
Base-Backbone interact. energy: 1.659
local terms energy: -198.093361
where:
bonds (distance) C4'-P energy: -38.098
bonds (distance) P-C4' energy: -34.778
flat angles C4'-P-C4' energy: -39.395
flat angles P-C4'-P energy: -30.393
tors. eta vs tors. theta energy: -55.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -483.547818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.547818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.547818 (E_RNA)
where:
Base-Base interactions energy: -332.777
where: short stacking energy: -149.782
Base-Backbone interact. energy: -0.980
local terms energy: -149.790573
where:
bonds (distance) C4'-P energy: -24.453
bonds (distance) P-C4' energy: -39.610
flat angles C4'-P-C4' energy: -26.245
flat angles P-C4'-P energy: -25.615
tors. eta vs tors. theta energy: -33.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -447.074272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.074272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.074272 (E_RNA)
where:
Base-Base interactions energy: -297.007
where: short stacking energy: -143.490
Base-Backbone interact. energy: -0.855
local terms energy: -149.212042
where:
bonds (distance) C4'-P energy: -26.955
bonds (distance) P-C4' energy: -27.915
flat angles C4'-P-C4' energy: -37.057
flat angles P-C4'-P energy: -24.563
tors. eta vs tors. theta energy: -32.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -442.025305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.025305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.025305 (E_RNA)
where:
Base-Base interactions energy: -298.807
where: short stacking energy: -122.737
Base-Backbone interact. energy: -0.612
local terms energy: -142.606660
where:
bonds (distance) C4'-P energy: -26.296
bonds (distance) P-C4' energy: -25.412
flat angles C4'-P-C4' energy: -39.345
flat angles P-C4'-P energy: -16.729
tors. eta vs tors. theta energy: -34.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -357.004242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.004242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.004242 (E_RNA)
where:
Base-Base interactions energy: -216.830
where: short stacking energy: -112.223
Base-Backbone interact. energy: 0.648
local terms energy: -140.822615
where:
bonds (distance) C4'-P energy: -28.329
bonds (distance) P-C4' energy: -26.937
flat angles C4'-P-C4' energy: -34.613
flat angles P-C4'-P energy: -23.048
tors. eta vs tors. theta energy: -27.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -337.587204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.587204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.587204 (E_RNA)
where:
Base-Base interactions energy: -206.534
where: short stacking energy: -100.952
Base-Backbone interact. energy: -0.525
local terms energy: -130.528696
where:
bonds (distance) C4'-P energy: -27.032
bonds (distance) P-C4' energy: -34.091
flat angles C4'-P-C4' energy: -32.760
flat angles P-C4'-P energy: -17.619
tors. eta vs tors. theta energy: -19.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -305.184433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.184433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.184433 (E_RNA)
where:
Base-Base interactions energy: -176.023
where: short stacking energy: -88.039
Base-Backbone interact. energy: -0.787
local terms energy: -128.374138
where:
bonds (distance) C4'-P energy: -22.051
bonds (distance) P-C4' energy: -34.099
flat angles C4'-P-C4' energy: -35.056
flat angles P-C4'-P energy: -17.371
tors. eta vs tors. theta energy: -19.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -313.694497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.694497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.694497 (E_RNA)
where:
Base-Base interactions energy: -179.361
where: short stacking energy: -91.477
Base-Backbone interact. energy: -0.603
local terms energy: -133.731049
where:
bonds (distance) C4'-P energy: -32.353
bonds (distance) P-C4' energy: -33.390
flat angles C4'-P-C4' energy: -29.641
flat angles P-C4'-P energy: -18.228
tors. eta vs tors. theta energy: -20.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -228.617015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.617015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.617015 (E_RNA)
where:
Base-Base interactions energy: -115.546
where: short stacking energy: -63.604
Base-Backbone interact. energy: 1.533
local terms energy: -114.604614
where:
bonds (distance) C4'-P energy: -24.627
bonds (distance) P-C4' energy: -35.482
flat angles C4'-P-C4' energy: -33.211
flat angles P-C4'-P energy: -17.357
tors. eta vs tors. theta energy: -3.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -537.255973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.255973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.255973 (E_RNA)
where:
Base-Base interactions energy: -352.651
where: short stacking energy: -149.730
Base-Backbone interact. energy: -0.486
local terms energy: -184.118928
where:
bonds (distance) C4'-P energy: -39.969
bonds (distance) P-C4' energy: -36.432
flat angles C4'-P-C4' energy: -36.594
flat angles P-C4'-P energy: -30.286
tors. eta vs tors. theta energy: -40.838
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: 5
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -559.485142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.485142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.485142 (E_RNA)
where:
Base-Base interactions energy: -367.714
where: short stacking energy: -191.229
Base-Backbone interact. energy: -0.597
local terms energy: -191.174186
where:
bonds (distance) C4'-P energy: -37.617
bonds (distance) P-C4' energy: -37.146
flat angles C4'-P-C4' energy: -40.735
flat angles P-C4'-P energy: -19.418
tors. eta vs tors. theta energy: -56.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -490.064904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.064904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.064904 (E_RNA)
where:
Base-Base interactions energy: -333.205
where: short stacking energy: -144.119
Base-Backbone interact. energy: -0.488
local terms energy: -156.371703
where:
bonds (distance) C4'-P energy: -31.243
bonds (distance) P-C4' energy: -32.466
flat angles C4'-P-C4' energy: -38.961
flat angles P-C4'-P energy: -18.678
tors. eta vs tors. theta energy: -35.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -443.949470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.949470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.949470 (E_RNA)
where:
Base-Base interactions energy: -300.067
where: short stacking energy: -132.315
Base-Backbone interact. energy: 0.299
local terms energy: -144.182271
where:
bonds (distance) C4'-P energy: -33.198
bonds (distance) P-C4' energy: -24.543
flat angles C4'-P-C4' energy: -33.895
flat angles P-C4'-P energy: -26.499
tors. eta vs tors. theta energy: -26.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -429.616381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.616381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.616381 (E_RNA)
where:
Base-Base interactions energy: -292.010
where: short stacking energy: -131.844
Base-Backbone interact. energy: -1.676
local terms energy: -135.929926
where:
bonds (distance) C4'-P energy: -27.287
bonds (distance) P-C4' energy: -23.119
flat angles C4'-P-C4' energy: -28.326
flat angles P-C4'-P energy: -27.597
tors. eta vs tors. theta energy: -29.602
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: 1
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -334.466946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.466946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.466946 (E_RNA)
where:
Base-Base interactions energy: -206.058
where: short stacking energy: -111.240
Base-Backbone interact. energy: -0.296
local terms energy: -128.113456
where:
bonds (distance) C4'-P energy: -29.562
bonds (distance) P-C4' energy: -32.009
flat angles C4'-P-C4' energy: -28.407
flat angles P-C4'-P energy: -17.600
tors. eta vs tors. theta energy: -20.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -333.707160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.707160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.707160 (E_RNA)
where:
Base-Base interactions energy: -203.317
where: short stacking energy: -93.721
Base-Backbone interact. energy: 2.783
local terms energy: -133.173373
where:
bonds (distance) C4'-P energy: -31.185
bonds (distance) P-C4' energy: -36.843
flat angles C4'-P-C4' energy: -31.403
flat angles P-C4'-P energy: -22.392
tors. eta vs tors. theta energy: -11.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -308.892794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.892794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.892794 (E_RNA)
where:
Base-Base interactions energy: -184.975
where: short stacking energy: -95.023
Base-Backbone interact. energy: -0.811
local terms energy: -123.107138
where:
bonds (distance) C4'-P energy: -31.411
bonds (distance) P-C4' energy: -32.037
flat angles C4'-P-C4' energy: -29.954
flat angles P-C4'-P energy: -14.936
tors. eta vs tors. theta energy: -14.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -299.104360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.104360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.104360 (E_RNA)
where:
Base-Base interactions energy: -189.222
where: short stacking energy: -81.450
Base-Backbone interact. energy: 0.035
local terms energy: -109.917153
where:
bonds (distance) C4'-P energy: -36.052
bonds (distance) P-C4' energy: -28.363
flat angles C4'-P-C4' energy: -24.094
flat angles P-C4'-P energy: -19.222
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: 10, replica: 7
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -223.420161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.420161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.420161 (E_RNA)
where:
Base-Base interactions energy: -110.279
where: short stacking energy: -61.265
Base-Backbone interact. energy: -0.335
local terms energy: -112.805443
where:
bonds (distance) C4'-P energy: -28.904
bonds (distance) P-C4' energy: -37.973
flat angles C4'-P-C4' energy: -20.772
flat angles P-C4'-P energy: -21.908
tors. eta vs tors. theta energy: -3.248
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: 6
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -562.600011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.600011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.600011 (E_RNA)
where:
Base-Base interactions energy: -390.384
where: short stacking energy: -177.245
Base-Backbone interact. energy: -0.641
local terms energy: -171.574607
where:
bonds (distance) C4'-P energy: -31.723
bonds (distance) P-C4' energy: -32.548
flat angles C4'-P-C4' energy: -36.814
flat angles P-C4'-P energy: -23.972
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: 2, replica: 5
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -533.863345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.863345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.863345 (E_RNA)
where:
Base-Base interactions energy: -350.131
where: short stacking energy: -171.588
Base-Backbone interact. energy: -0.161
local terms energy: -183.571238
where:
bonds (distance) C4'-P energy: -37.388
bonds (distance) P-C4' energy: -37.606
flat angles C4'-P-C4' energy: -37.858
flat angles P-C4'-P energy: -23.369
tors. eta vs tors. theta energy: -47.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -494.441049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.441049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.441049 (E_RNA)
where:
Base-Base interactions energy: -330.885
where: short stacking energy: -155.774
Base-Backbone interact. energy: -0.520
local terms energy: -163.036298
where:
bonds (distance) C4'-P energy: -34.513
bonds (distance) P-C4' energy: -33.939
flat angles C4'-P-C4' energy: -33.287
flat angles P-C4'-P energy: -20.429
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: 4, replica: 10
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -441.352040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.352040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.352040 (E_RNA)
where:
Base-Base interactions energy: -306.760
where: short stacking energy: -131.025
Base-Backbone interact. energy: 0.997
local terms energy: -135.588948
where:
bonds (distance) C4'-P energy: -20.949
bonds (distance) P-C4' energy: -32.809
flat angles C4'-P-C4' energy: -32.152
flat angles P-C4'-P energy: -20.909
tors. eta vs tors. theta energy: -28.770
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: 4
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -403.118371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.118371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.118371 (E_RNA)
where:
Base-Base interactions energy: -272.296
where: short stacking energy: -127.821
Base-Backbone interact. energy: -0.643
local terms energy: -130.178698
where:
bonds (distance) C4'-P energy: -30.793
bonds (distance) P-C4' energy: -28.167
flat angles C4'-P-C4' energy: -34.523
flat angles P-C4'-P energy: -14.221
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: 6, replica: 1
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -333.360857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.360857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.360857 (E_RNA)
where:
Base-Base interactions energy: -193.040
where: short stacking energy: -104.749
Base-Backbone interact. energy: -0.115
local terms energy: -140.205508
where:
bonds (distance) C4'-P energy: -35.964
bonds (distance) P-C4' energy: -31.447
flat angles C4'-P-C4' energy: -38.535
flat angles P-C4'-P energy: -12.958
tors. eta vs tors. theta energy: -21.302
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: 2
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -322.675785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.675785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.675785 (E_RNA)
where:
Base-Base interactions energy: -198.328
where: short stacking energy: -93.300
Base-Backbone interact. energy: -0.839
local terms energy: -123.508977
where:
bonds (distance) C4'-P energy: -26.368
bonds (distance) P-C4' energy: -34.091
flat angles C4'-P-C4' energy: -33.141
flat angles P-C4'-P energy: -17.209
tors. eta vs tors. theta energy: -12.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -311.576443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.576443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.576443 (E_RNA)
where:
Base-Base interactions energy: -180.367
where: short stacking energy: -82.614
Base-Backbone interact. energy: -0.287
local terms energy: -130.921565
where:
bonds (distance) C4'-P energy: -31.923
bonds (distance) P-C4' energy: -32.249
flat angles C4'-P-C4' energy: -27.037
flat angles P-C4'-P energy: -23.533
tors. eta vs tors. theta energy: -16.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -330.297704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.297704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.297704 (E_RNA)
where:
Base-Base interactions energy: -207.811
where: short stacking energy: -96.744
Base-Backbone interact. energy: -0.668
local terms energy: -121.818793
where:
bonds (distance) C4'-P energy: -28.346
bonds (distance) P-C4' energy: -22.701
flat angles C4'-P-C4' energy: -28.373
flat angles P-C4'-P energy: -16.961
tors. eta vs tors. theta energy: -25.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -219.505891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.505891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.505891 (E_RNA)
where:
Base-Base interactions energy: -111.347
where: short stacking energy: -72.039
Base-Backbone interact. energy: -0.185
local terms energy: -107.973349
where:
bonds (distance) C4'-P energy: -29.346
bonds (distance) P-C4' energy: -22.503
flat angles C4'-P-C4' energy: -28.377
flat angles P-C4'-P energy: -16.438
tors. eta vs tors. theta energy: -11.309
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: 1, replica: 6
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -533.095569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.095569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.095569 (E_RNA)
where:
Base-Base interactions energy: -362.008
where: short stacking energy: -160.073
Base-Backbone interact. energy: -1.234
local terms energy: -169.853591
where:
bonds (distance) C4'-P energy: -32.403
bonds (distance) P-C4' energy: -33.136
flat angles C4'-P-C4' energy: -38.493
flat angles P-C4'-P energy: -25.058
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: 2, replica: 5
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -550.047912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.047912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.047912 (E_RNA)
where:
Base-Base interactions energy: -370.316
where: short stacking energy: -177.045
Base-Backbone interact. energy: -0.054
local terms energy: -179.677221
where:
bonds (distance) C4'-P energy: -33.261
bonds (distance) P-C4' energy: -33.802
flat angles C4'-P-C4' energy: -37.115
flat angles P-C4'-P energy: -26.837
tors. eta vs tors. theta energy: -48.662
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: 9
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -478.961464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.961464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.961464 (E_RNA)
where:
Base-Base interactions energy: -316.910
where: short stacking energy: -143.826
Base-Backbone interact. energy: -0.719
local terms energy: -161.332282
where:
bonds (distance) C4'-P energy: -27.665
bonds (distance) P-C4' energy: -35.693
flat angles C4'-P-C4' energy: -38.942
flat angles P-C4'-P energy: -25.181
tors. eta vs tors. theta energy: -33.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -441.390753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.390753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.390753 (E_RNA)
where:
Base-Base interactions energy: -299.001
where: short stacking energy: -126.095
Base-Backbone interact. energy: 2.505
local terms energy: -144.895062
where:
bonds (distance) C4'-P energy: -34.502
bonds (distance) P-C4' energy: -35.563
flat angles C4'-P-C4' energy: -24.758
flat angles P-C4'-P energy: -16.998
tors. eta vs tors. theta energy: -33.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -417.075764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.075764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.075764 (E_RNA)
where:
Base-Base interactions energy: -285.624
where: short stacking energy: -136.498
Base-Backbone interact. energy: 0.459
local terms energy: -131.911037
where:
bonds (distance) C4'-P energy: -27.737
bonds (distance) P-C4' energy: -21.262
flat angles C4'-P-C4' energy: -32.458
flat angles P-C4'-P energy: -24.520
tors. eta vs tors. theta energy: -25.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -324.522452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.522452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.522452 (E_RNA)
where:
Base-Base interactions energy: -191.967
where: short stacking energy: -86.889
Base-Backbone interact. energy: -0.379
local terms energy: -132.176060
where:
bonds (distance) C4'-P energy: -34.596
bonds (distance) P-C4' energy: -29.379
flat angles C4'-P-C4' energy: -31.945
flat angles P-C4'-P energy: -22.173
tors. eta vs tors. theta energy: -14.083
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: 7, replica: 2
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -324.015573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.015573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.015573 (E_RNA)
where:
Base-Base interactions energy: -190.326
where: short stacking energy: -85.492
Base-Backbone interact. energy: 0.091
local terms energy: -133.780372
where:
bonds (distance) C4'-P energy: -30.636
bonds (distance) P-C4' energy: -36.965
flat angles C4'-P-C4' energy: -32.137
flat angles P-C4'-P energy: -21.935
tors. eta vs tors. theta energy: -12.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -351.213812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.213812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.213812 (E_RNA)
where:
Base-Base interactions energy: -219.526
where: short stacking energy: -98.179
Base-Backbone interact. energy: -2.848
local terms energy: -128.839323
where:
bonds (distance) C4'-P energy: -31.235
bonds (distance) P-C4' energy: -28.822
flat angles C4'-P-C4' energy: -35.233
flat angles P-C4'-P energy: -13.234
tors. eta vs tors. theta energy: -20.315
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: 3
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -296.094959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.094959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.094959 (E_RNA)
where:
Base-Base interactions energy: -178.279
where: short stacking energy: -93.259
Base-Backbone interact. energy: 0.006
local terms energy: -117.821557
where:
bonds (distance) C4'-P energy: -32.002
bonds (distance) P-C4' energy: -29.623
flat angles C4'-P-C4' energy: -21.646
flat angles P-C4'-P energy: -18.127
tors. eta vs tors. theta energy: -16.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -232.382599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.382599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.382599 (E_RNA)
where:
Base-Base interactions energy: -119.073
where: short stacking energy: -72.977
Base-Backbone interact. energy: -0.663
local terms energy: -112.647429
where:
bonds (distance) C4'-P energy: -29.167
bonds (distance) P-C4' energy: -35.152
flat angles C4'-P-C4' energy: -21.282
flat angles P-C4'-P energy: -19.024
tors. eta vs tors. theta energy: -8.023
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: 1, replica: 5
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -562.548271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.548271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.548271 (E_RNA)
where:
Base-Base interactions energy: -375.231
where: short stacking energy: -193.256
Base-Backbone interact. energy: -0.312
local terms energy: -187.005834
where:
bonds (distance) C4'-P energy: -33.890
bonds (distance) P-C4' energy: -32.955
flat angles C4'-P-C4' energy: -35.188
flat angles P-C4'-P energy: -29.733
tors. eta vs tors. theta energy: -55.240
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: 6
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -531.119597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.119597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.119597 (E_RNA)
where:
Base-Base interactions energy: -355.660
where: short stacking energy: -152.969
Base-Backbone interact. energy: 0.635
local terms energy: -176.095193
where:
bonds (distance) C4'-P energy: -31.086
bonds (distance) P-C4' energy: -39.068
flat angles C4'-P-C4' energy: -39.756
flat angles P-C4'-P energy: -23.328
tors. eta vs tors. theta energy: -42.857
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: 188
Temperature: 1.000000
Total energy: -475.559374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.559374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.559374 (E_RNA)
where:
Base-Base interactions energy: -313.210
where: short stacking energy: -147.098
Base-Backbone interact. energy: -1.320
local terms energy: -161.029801
where:
bonds (distance) C4'-P energy: -36.273
bonds (distance) P-C4' energy: -32.396
flat angles C4'-P-C4' energy: -36.319
flat angles P-C4'-P energy: -21.663
tors. eta vs tors. theta energy: -34.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -462.447887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.447887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.447887 (E_RNA)
where:
Base-Base interactions energy: -320.950
where: short stacking energy: -128.070
Base-Backbone interact. energy: -1.199
local terms energy: -140.299227
where:
bonds (distance) C4'-P energy: -27.452
bonds (distance) P-C4' energy: -25.758
flat angles C4'-P-C4' energy: -36.285
flat angles P-C4'-P energy: -18.676
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: 5, replica: 4
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -403.423956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.423956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.423956 (E_RNA)
where:
Base-Base interactions energy: -256.066
where: short stacking energy: -116.121
Base-Backbone interact. energy: 0.162
local terms energy: -147.519204
where:
bonds (distance) C4'-P energy: -34.105
bonds (distance) P-C4' energy: -32.165
flat angles C4'-P-C4' energy: -33.534
flat angles P-C4'-P energy: -21.945
tors. eta vs tors. theta energy: -25.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -338.286537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.286537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.286537 (E_RNA)
where:
Base-Base interactions energy: -208.158
where: short stacking energy: -104.457
Base-Backbone interact. energy: -0.259
local terms energy: -129.870340
where:
bonds (distance) C4'-P energy: -32.167
bonds (distance) P-C4' energy: -36.260
flat angles C4'-P-C4' energy: -27.699
flat angles P-C4'-P energy: -20.414
tors. eta vs tors. theta energy: -13.329
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: 2
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -340.395216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.395216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.395216 (E_RNA)
where:
Base-Base interactions energy: -195.780
where: short stacking energy: -102.196
Base-Backbone interact. energy: -0.139
local terms energy: -144.476244
where:
bonds (distance) C4'-P energy: -29.350
bonds (distance) P-C4' energy: -37.409
flat angles C4'-P-C4' energy: -34.135
flat angles P-C4'-P energy: -22.849
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: 8, replica: 8
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -309.681683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.681683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.681683 (E_RNA)
where:
Base-Base interactions energy: -183.470
where: short stacking energy: -94.541
Base-Backbone interact. energy: -0.687
local terms energy: -125.524914
where:
bonds (distance) C4'-P energy: -30.403
bonds (distance) P-C4' energy: -34.320
flat angles C4'-P-C4' energy: -30.447
flat angles P-C4'-P energy: -17.251
tors. eta vs tors. theta energy: -13.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -280.339025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.339025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.339025 (E_RNA)
where:
Base-Base interactions energy: -170.194
where: short stacking energy: -77.054
Base-Backbone interact. energy: -0.061
local terms energy: -110.084244
where:
bonds (distance) C4'-P energy: -28.259
bonds (distance) P-C4' energy: -28.181
flat angles C4'-P-C4' energy: -33.169
flat angles P-C4'-P energy: -15.065
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: 10, replica: 7
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -210.515156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.515156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.515156 (E_RNA)
where:
Base-Base interactions energy: -114.917
where: short stacking energy: -63.618
Base-Backbone interact. energy: 1.026
local terms energy: -96.624396
where:
bonds (distance) C4'-P energy: -30.148
bonds (distance) P-C4' energy: -32.890
flat angles C4'-P-C4' energy: -20.202
flat angles P-C4'-P energy: -8.963
tors. eta vs tors. theta energy: -4.421
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: 5
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -569.580709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.580709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.580709 (E_RNA)
where:
Base-Base interactions energy: -373.520
where: short stacking energy: -188.337
Base-Backbone interact. energy: -0.168
local terms energy: -195.893421
where:
bonds (distance) C4'-P energy: -32.748
bonds (distance) P-C4' energy: -40.982
flat angles C4'-P-C4' energy: -39.969
flat angles P-C4'-P energy: -24.207
tors. eta vs tors. theta energy: -57.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -516.031716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.031716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.031716 (E_RNA)
where:
Base-Base interactions energy: -347.601
where: short stacking energy: -147.548
Base-Backbone interact. energy: -0.991
local terms energy: -167.439266
where:
bonds (distance) C4'-P energy: -34.863
bonds (distance) P-C4' energy: -30.887
flat angles C4'-P-C4' energy: -37.715
flat angles P-C4'-P energy: -24.521
tors. eta vs tors. theta energy: -39.454
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: 9
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -495.382784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.382784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.382784 (E_RNA)
where:
Base-Base interactions energy: -334.534
where: short stacking energy: -158.796
Base-Backbone interact. energy: -1.606
local terms energy: -159.242839
where:
bonds (distance) C4'-P energy: -30.459
bonds (distance) P-C4' energy: -33.457
flat angles C4'-P-C4' energy: -37.146
flat angles P-C4'-P energy: -25.525
tors. eta vs tors. theta energy: -32.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -461.225568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.225568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.225568 (E_RNA)
where:
Base-Base interactions energy: -312.297
where: short stacking energy: -136.204
Base-Backbone interact. energy: -0.434
local terms energy: -148.494281
where:
bonds (distance) C4'-P energy: -36.728
bonds (distance) P-C4' energy: -30.378
flat angles C4'-P-C4' energy: -34.631
flat angles P-C4'-P energy: -14.617
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: 5, replica: 4
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -419.412227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.412227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.412227 (E_RNA)
where:
Base-Base interactions energy: -269.712
where: short stacking energy: -125.255
Base-Backbone interact. energy: -0.551
local terms energy: -149.149305
where:
bonds (distance) C4'-P energy: -35.011
bonds (distance) P-C4' energy: -34.739
flat angles C4'-P-C4' energy: -29.449
flat angles P-C4'-P energy: -20.253
tors. eta vs tors. theta energy: -29.698
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: 2
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -341.041718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.041718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.041718 (E_RNA)
where:
Base-Base interactions energy: -205.583
where: short stacking energy: -112.666
Base-Backbone interact. energy: -0.348
local terms energy: -135.110734
where:
bonds (distance) C4'-P energy: -33.702
bonds (distance) P-C4' energy: -24.583
flat angles C4'-P-C4' energy: -26.483
flat angles P-C4'-P energy: -21.347
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: 1
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -318.482683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.482683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.482683 (E_RNA)
where:
Base-Base interactions energy: -191.605
where: short stacking energy: -89.974
Base-Backbone interact. energy: -0.818
local terms energy: -126.059865
where:
bonds (distance) C4'-P energy: -37.003
bonds (distance) P-C4' energy: -29.303
flat angles C4'-P-C4' energy: -27.363
flat angles P-C4'-P energy: -17.302
tors. eta vs tors. theta energy: -15.088
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: 8
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -312.282474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.282474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.282474 (E_RNA)
where:
Base-Base interactions energy: -177.898
where: short stacking energy: -89.334
Base-Backbone interact. energy: -0.540
local terms energy: -133.844537
where:
bonds (distance) C4'-P energy: -31.190
bonds (distance) P-C4' energy: -34.112
flat angles C4'-P-C4' energy: -32.561
flat angles P-C4'-P energy: -25.830
tors. eta vs tors. theta energy: -10.151
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: 9, replica: 3
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -287.346680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.346680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.346680 (E_RNA)
where:
Base-Base interactions energy: -162.215
where: short stacking energy: -75.115
Base-Backbone interact. energy: -0.353
local terms energy: -124.778699
where:
bonds (distance) C4'-P energy: -33.032
bonds (distance) P-C4' energy: -30.511
flat angles C4'-P-C4' energy: -29.841
flat angles P-C4'-P energy: -18.006
tors. eta vs tors. theta energy: -13.389
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: 10, replica: 7
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -240.679524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.679524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.679524 (E_RNA)
where:
Base-Base interactions energy: -127.238
where: short stacking energy: -84.216
Base-Backbone interact. energy: -0.290
local terms energy: -113.151539
where:
bonds (distance) C4'-P energy: -25.456
bonds (distance) P-C4' energy: -29.116
flat angles C4'-P-C4' energy: -24.558
flat angles P-C4'-P energy: -21.972
tors. eta vs tors. theta energy: -12.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -564.191074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.191074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.191074 (E_RNA)
where:
Base-Base interactions energy: -383.291
where: short stacking energy: -196.259
Base-Backbone interact. energy: -0.074
local terms energy: -180.825999
where:
bonds (distance) C4'-P energy: -31.140
bonds (distance) P-C4' energy: -37.807
flat angles C4'-P-C4' energy: -36.523
flat angles P-C4'-P energy: -24.404
tors. eta vs tors. theta energy: -50.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -522.901870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.901870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.901870 (E_RNA)
where:
Base-Base interactions energy: -350.860
where: short stacking energy: -154.925
Base-Backbone interact. energy: -0.800
local terms energy: -171.241762
where:
bonds (distance) C4'-P energy: -28.999
bonds (distance) P-C4' energy: -33.092
flat angles C4'-P-C4' energy: -35.729
flat angles P-C4'-P energy: -29.106
tors. eta vs tors. theta energy: -44.316
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: 10
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -483.483707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.483707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.483707 (E_RNA)
where:
Base-Base interactions energy: -328.240
where: short stacking energy: -136.134
Base-Backbone interact. energy: -1.164
local terms energy: -154.080108
where:
bonds (distance) C4'-P energy: -26.756
bonds (distance) P-C4' energy: -34.284
flat angles C4'-P-C4' energy: -34.375
flat angles P-C4'-P energy: -21.360
tors. eta vs tors. theta energy: -37.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -480.831855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.831855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.831855 (E_RNA)
where:
Base-Base interactions energy: -323.319
where: short stacking energy: -147.398
Base-Backbone interact. energy: -1.631
local terms energy: -155.881809
where:
bonds (distance) C4'-P energy: -31.798
bonds (distance) P-C4' energy: -29.703
flat angles C4'-P-C4' energy: -35.293
flat angles P-C4'-P energy: -24.437
tors. eta vs tors. theta energy: -34.651
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: 4
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -449.167567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.167567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.167567 (E_RNA)
where:
Base-Base interactions energy: -295.908
where: short stacking energy: -133.702
Base-Backbone interact. energy: -0.486
local terms energy: -152.774052
where:
bonds (distance) C4'-P energy: -31.898
bonds (distance) P-C4' energy: -37.255
flat angles C4'-P-C4' energy: -35.103
flat angles P-C4'-P energy: -23.619
tors. eta vs tors. theta energy: -24.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -341.698762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.698762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.698762 (E_RNA)
where:
Base-Base interactions energy: -213.941
where: short stacking energy: -103.384
Base-Backbone interact. energy: -0.620
local terms energy: -127.138017
where:
bonds (distance) C4'-P energy: -21.978
bonds (distance) P-C4' energy: -32.367
flat angles C4'-P-C4' energy: -39.250
flat angles P-C4'-P energy: -19.831
tors. eta vs tors. theta energy: -13.712
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: 8
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -357.459769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.459769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.459769 (E_RNA)
where:
Base-Base interactions energy: -231.151
where: short stacking energy: -113.798
Base-Backbone interact. energy: -0.098
local terms energy: -126.211166
where:
bonds (distance) C4'-P energy: -20.162
bonds (distance) P-C4' energy: -37.885
flat angles C4'-P-C4' energy: -24.810
flat angles P-C4'-P energy: -16.582
tors. eta vs tors. theta energy: -26.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -313.282892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.282892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.282892 (E_RNA)
where:
Base-Base interactions energy: -194.405
where: short stacking energy: -90.353
Base-Backbone interact. energy: -0.476
local terms energy: -118.402233
where:
bonds (distance) C4'-P energy: -30.344
bonds (distance) P-C4' energy: -35.438
flat angles C4'-P-C4' energy: -18.080
flat angles P-C4'-P energy: -25.410
tors. eta vs tors. theta energy: -9.131
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: 3
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -321.154097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.154097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.154097 (E_RNA)
where:
Base-Base interactions energy: -188.940
where: short stacking energy: -93.786
Base-Backbone interact. energy: -0.640
local terms energy: -131.574381
where:
bonds (distance) C4'-P energy: -25.203
bonds (distance) P-C4' energy: -31.148
flat angles C4'-P-C4' energy: -30.083
flat angles P-C4'-P energy: -23.978
tors. eta vs tors. theta energy: -21.163
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: 7
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -228.230717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.230717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.230717 (E_RNA)
where:
Base-Base interactions energy: -120.404
where: short stacking energy: -76.034
Base-Backbone interact. energy: 1.200
local terms energy: -109.026586
where:
bonds (distance) C4'-P energy: -29.727
bonds (distance) P-C4' energy: -32.392
flat angles C4'-P-C4' energy: -27.974
flat angles P-C4'-P energy: -6.269
tors. eta vs tors. theta energy: -12.664
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: 5
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -571.676514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.676514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.676514 (E_RNA)
where:
Base-Base interactions energy: -372.355
where: short stacking energy: -185.470
Base-Backbone interact. energy: -0.076
local terms energy: -199.245701
where:
bonds (distance) C4'-P energy: -37.151
bonds (distance) P-C4' energy: -38.456
flat angles C4'-P-C4' energy: -38.098
flat angles P-C4'-P energy: -32.799
tors. eta vs tors. theta energy: -52.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -553.658729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.658729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.658729 (E_RNA)
where:
Base-Base interactions energy: -370.455
where: short stacking energy: -181.092
Base-Backbone interact. energy: 1.314
local terms energy: -184.517883
where:
bonds (distance) C4'-P energy: -31.458
bonds (distance) P-C4' energy: -36.472
flat angles C4'-P-C4' energy: -37.388
flat angles P-C4'-P energy: -31.632
tors. eta vs tors. theta energy: -47.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -501.792449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.792449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.792449 (E_RNA)
where:
Base-Base interactions energy: -344.799
where: short stacking energy: -160.206
Base-Backbone interact. energy: -1.237
local terms energy: -155.756102
where:
bonds (distance) C4'-P energy: -34.510
bonds (distance) P-C4' energy: -33.091
flat angles C4'-P-C4' energy: -31.870
flat angles P-C4'-P energy: -23.861
tors. eta vs tors. theta energy: -32.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -480.681324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.681324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.681324 (E_RNA)
where:
Base-Base interactions energy: -321.438
where: short stacking energy: -147.931
Base-Backbone interact. energy: 0.439
local terms energy: -159.682840
where:
bonds (distance) C4'-P energy: -27.428
bonds (distance) P-C4' energy: -30.188
flat angles C4'-P-C4' energy: -39.830
flat angles P-C4'-P energy: -26.291
tors. eta vs tors. theta energy: -35.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -431.504805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.504805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.504805 (E_RNA)
where:
Base-Base interactions energy: -294.356
where: short stacking energy: -139.400
Base-Backbone interact. energy: -0.654
local terms energy: -136.494366
where:
bonds (distance) C4'-P energy: -28.946
bonds (distance) P-C4' energy: -28.034
flat angles C4'-P-C4' energy: -33.661
flat angles P-C4'-P energy: -19.611
tors. eta vs tors. theta energy: -26.242
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: 191
Temperature: 1.150000
Total energy: -354.468986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.468986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.468986 (E_RNA)
where:
Base-Base interactions energy: -221.102
where: short stacking energy: -114.951
Base-Backbone interact. energy: 0.126
local terms energy: -133.492885
where:
bonds (distance) C4'-P energy: -30.917
bonds (distance) P-C4' energy: -26.705
flat angles C4'-P-C4' energy: -23.372
flat angles P-C4'-P energy: -21.601
tors. eta vs tors. theta energy: -30.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -340.836163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.836163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.836163 (E_RNA)
where:
Base-Base interactions energy: -198.026
where: short stacking energy: -102.078
Base-Backbone interact. energy: -0.291
local terms energy: -142.519571
where:
bonds (distance) C4'-P energy: -30.788
bonds (distance) P-C4' energy: -34.151
flat angles C4'-P-C4' energy: -38.001
flat angles P-C4'-P energy: -23.527
tors. eta vs tors. theta energy: -16.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -326.409783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.409783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.409783 (E_RNA)
where:
Base-Base interactions energy: -195.204
where: short stacking energy: -101.584
Base-Backbone interact. energy: 1.921
local terms energy: -133.126611
where:
bonds (distance) C4'-P energy: -25.890
bonds (distance) P-C4' energy: -32.897
flat angles C4'-P-C4' energy: -34.176
flat angles P-C4'-P energy: -16.644
tors. eta vs tors. theta energy: -23.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -318.214603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.214603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.214603 (E_RNA)
where:
Base-Base interactions energy: -201.007
where: short stacking energy: -100.914
Base-Backbone interact. energy: -0.097
local terms energy: -117.110512
where:
bonds (distance) C4'-P energy: -19.502
bonds (distance) P-C4' energy: -36.558
flat angles C4'-P-C4' energy: -26.403
flat angles P-C4'-P energy: -19.019
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: 7
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -214.530422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.530422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.530422 (E_RNA)
where:
Base-Base interactions energy: -110.374
where: short stacking energy: -76.818
Base-Backbone interact. energy: -0.367
local terms energy: -103.789206
where:
bonds (distance) C4'-P energy: -25.311
bonds (distance) P-C4' energy: -24.182
flat angles C4'-P-C4' energy: -28.131
flat angles P-C4'-P energy: -16.299
tors. eta vs tors. theta energy: -9.866
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: 5
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -555.703793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.703793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.703793 (E_RNA)
where:
Base-Base interactions energy: -367.119
where: short stacking energy: -189.295
Base-Backbone interact. energy: -0.303
local terms energy: -188.282232
where:
bonds (distance) C4'-P energy: -34.890
bonds (distance) P-C4' energy: -36.552
flat angles C4'-P-C4' energy: -37.254
flat angles P-C4'-P energy: -28.156
tors. eta vs tors. theta energy: -51.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -535.236034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.236034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.236034 (E_RNA)
where:
Base-Base interactions energy: -368.681
where: short stacking energy: -178.910
Base-Backbone interact. energy: -0.929
local terms energy: -165.626445
where:
bonds (distance) C4'-P energy: -34.330
bonds (distance) P-C4' energy: -30.340
flat angles C4'-P-C4' energy: -27.533
flat angles P-C4'-P energy: -29.858
tors. eta vs tors. theta energy: -43.565
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: 9
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -490.210564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.210564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.210564 (E_RNA)
where:
Base-Base interactions energy: -327.492
where: short stacking energy: -145.470
Base-Backbone interact. energy: -0.284
local terms energy: -162.434184
where:
bonds (distance) C4'-P energy: -34.297
bonds (distance) P-C4' energy: -38.796
flat angles C4'-P-C4' energy: -35.460
flat angles P-C4'-P energy: -16.436
tors. eta vs tors. theta energy: -37.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -465.307031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.307031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.307031 (E_RNA)
where:
Base-Base interactions energy: -314.669
where: short stacking energy: -133.414
Base-Backbone interact. energy: -0.216
local terms energy: -150.421665
where:
bonds (distance) C4'-P energy: -34.795
bonds (distance) P-C4' energy: -26.539
flat angles C4'-P-C4' energy: -36.609
flat angles P-C4'-P energy: -27.959
tors. eta vs tors. theta energy: -24.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -444.443551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.443551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.443551 (E_RNA)
where:
Base-Base interactions energy: -296.546
where: short stacking energy: -140.498
Base-Backbone interact. energy: -0.639
local terms energy: -147.258481
where:
bonds (distance) C4'-P energy: -26.660
bonds (distance) P-C4' energy: -26.449
flat angles C4'-P-C4' energy: -40.044
flat angles P-C4'-P energy: -19.257
tors. eta vs tors. theta energy: -34.848
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: 8
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -356.560970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.560970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.560970 (E_RNA)
where:
Base-Base interactions energy: -225.092
where: short stacking energy: -113.056
Base-Backbone interact. energy: 0.506
local terms energy: -131.975543
where:
bonds (distance) C4'-P energy: -20.123
bonds (distance) P-C4' energy: -36.389
flat angles C4'-P-C4' energy: -26.377
flat angles P-C4'-P energy: -23.440
tors. eta vs tors. theta energy: -25.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -348.192344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.192344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.192344 (E_RNA)
where:
Base-Base interactions energy: -204.744
where: short stacking energy: -98.499
Base-Backbone interact. energy: -0.240
local terms energy: -143.207686
where:
bonds (distance) C4'-P energy: -37.258
bonds (distance) P-C4' energy: -32.056
flat angles C4'-P-C4' energy: -28.801
flat angles P-C4'-P energy: -24.160
tors. eta vs tors. theta energy: -20.932
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: 2
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -321.135898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.135898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.135898 (E_RNA)
where:
Base-Base interactions energy: -194.631
where: short stacking energy: -107.275
Base-Backbone interact. energy: -0.535
local terms energy: -125.970168
where:
bonds (distance) C4'-P energy: -26.888
bonds (distance) P-C4' energy: -27.309
flat angles C4'-P-C4' energy: -35.305
flat angles P-C4'-P energy: -15.822
tors. eta vs tors. theta energy: -20.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -290.015902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.015902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.015902 (E_RNA)
where:
Base-Base interactions energy: -177.740
where: short stacking energy: -88.497
Base-Backbone interact. energy: 2.387
local terms energy: -114.663248
where:
bonds (distance) C4'-P energy: -23.066
bonds (distance) P-C4' energy: -31.776
flat angles C4'-P-C4' energy: -34.051
flat angles P-C4'-P energy: -11.627
tors. eta vs tors. theta energy: -14.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -220.331586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.331586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.331586 (E_RNA)
where:
Base-Base interactions energy: -112.959
where: short stacking energy: -69.012
Base-Backbone interact. energy: -0.828
local terms energy: -106.544736
where:
bonds (distance) C4'-P energy: -27.840
bonds (distance) P-C4' energy: -34.323
flat angles C4'-P-C4' energy: -22.311
flat angles P-C4'-P energy: -11.734
tors. eta vs tors. theta energy: -10.338
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: 5
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -557.687578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.687578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.687578 (E_RNA)
where:
Base-Base interactions energy: -375.801
where: short stacking energy: -177.954
Base-Backbone interact. energy: -0.459
local terms energy: -181.427979
where:
bonds (distance) C4'-P energy: -36.972
bonds (distance) P-C4' energy: -36.287
flat angles C4'-P-C4' energy: -33.853
flat angles P-C4'-P energy: -22.850
tors. eta vs tors. theta energy: -51.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -543.084361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.084361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.084361 (E_RNA)
where:
Base-Base interactions energy: -372.853
where: short stacking energy: -181.873
Base-Backbone interact. energy: 0.598
local terms energy: -170.830030
where:
bonds (distance) C4'-P energy: -32.002
bonds (distance) P-C4' energy: -28.625
flat angles C4'-P-C4' energy: -39.251
flat angles P-C4'-P energy: -24.574
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: 193
Temperature: 1.000000
Total energy: -505.735049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.735049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.735049 (E_RNA)
where:
Base-Base interactions energy: -343.448
where: short stacking energy: -152.729
Base-Backbone interact. energy: -0.788
local terms energy: -161.498335
where:
bonds (distance) C4'-P energy: -30.412
bonds (distance) P-C4' energy: -34.050
flat angles C4'-P-C4' energy: -40.110
flat angles P-C4'-P energy: -21.198
tors. eta vs tors. theta energy: -35.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -456.316020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.316020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.316020 (E_RNA)
where:
Base-Base interactions energy: -309.361
where: short stacking energy: -125.371
Base-Backbone interact. energy: 0.011
local terms energy: -146.966115
where:
bonds (distance) C4'-P energy: -31.707
bonds (distance) P-C4' energy: -37.059
flat angles C4'-P-C4' energy: -35.862
flat angles P-C4'-P energy: -14.639
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: 5, replica: 4
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -449.909802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.909802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.909802 (E_RNA)
where:
Base-Base interactions energy: -299.691
where: short stacking energy: -139.781
Base-Backbone interact. energy: -2.405
local terms energy: -147.814417
where:
bonds (distance) C4'-P energy: -28.179
bonds (distance) P-C4' energy: -31.564
flat angles C4'-P-C4' energy: -36.386
flat angles P-C4'-P energy: -18.775
tors. eta vs tors. theta energy: -32.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -357.453323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.453323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.453323 (E_RNA)
where:
Base-Base interactions energy: -209.228
where: short stacking energy: -109.327
Base-Backbone interact. energy: 0.391
local terms energy: -148.617142
where:
bonds (distance) C4'-P energy: -34.989
bonds (distance) P-C4' energy: -26.809
flat angles C4'-P-C4' energy: -33.692
flat angles P-C4'-P energy: -23.540
tors. eta vs tors. theta energy: -29.587
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: 3
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -324.265667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.265667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.265667 (E_RNA)
where:
Base-Base interactions energy: -203.085
where: short stacking energy: -104.957
Base-Backbone interact. energy: 0.885
local terms energy: -122.066067
where:
bonds (distance) C4'-P energy: -24.566
bonds (distance) P-C4' energy: -24.191
flat angles C4'-P-C4' energy: -35.307
flat angles P-C4'-P energy: -20.389
tors. eta vs tors. theta energy: -17.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -318.494796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.494796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.494796 (E_RNA)
where:
Base-Base interactions energy: -189.771
where: short stacking energy: -88.926
Base-Backbone interact. energy: -1.377
local terms energy: -127.347543
where:
bonds (distance) C4'-P energy: -35.588
bonds (distance) P-C4' energy: -28.802
flat angles C4'-P-C4' energy: -25.825
flat angles P-C4'-P energy: -21.365
tors. eta vs tors. theta energy: -15.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -298.501009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.501009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.501009 (E_RNA)
where:
Base-Base interactions energy: -183.929
where: short stacking energy: -94.742
Base-Backbone interact. energy: 3.794
local terms energy: -118.365612
where:
bonds (distance) C4'-P energy: -34.526
bonds (distance) P-C4' energy: -27.919
flat angles C4'-P-C4' energy: -23.810
flat angles P-C4'-P energy: -21.684
tors. eta vs tors. theta energy: -10.426
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: 7
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -216.428889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.428889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.428889 (E_RNA)
where:
Base-Base interactions energy: -117.376
where: short stacking energy: -75.025
Base-Backbone interact. energy: 0.120
local terms energy: -99.172802
where:
bonds (distance) C4'-P energy: -29.397
bonds (distance) P-C4' energy: -26.355
flat angles C4'-P-C4' energy: -26.686
flat angles P-C4'-P energy: -12.746
tors. eta vs tors. theta energy: -3.988
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: 5
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -564.107801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.107801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.107801 (E_RNA)
where:
Base-Base interactions energy: -378.615
where: short stacking energy: -192.681
Base-Backbone interact. energy: -0.041
local terms energy: -185.452487
where:
bonds (distance) C4'-P energy: -30.297
bonds (distance) P-C4' energy: -35.478
flat angles C4'-P-C4' energy: -42.032
flat angles P-C4'-P energy: -24.218
tors. eta vs tors. theta energy: -53.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -543.494491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.494491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.494491 (E_RNA)
where:
Base-Base interactions energy: -359.938
where: short stacking energy: -172.818
Base-Backbone interact. energy: -0.386
local terms energy: -183.171016
where:
bonds (distance) C4'-P energy: -33.100
bonds (distance) P-C4' energy: -35.194
flat angles C4'-P-C4' energy: -36.065
flat angles P-C4'-P energy: -28.249
tors. eta vs tors. theta energy: -50.563
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: 9
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -515.885002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.885002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.885002 (E_RNA)
where:
Base-Base interactions energy: -345.885
where: short stacking energy: -168.394
Base-Backbone interact. energy: -0.908
local terms energy: -169.091875
where:
bonds (distance) C4'-P energy: -33.612
bonds (distance) P-C4' energy: -27.944
flat angles C4'-P-C4' energy: -38.519
flat angles P-C4'-P energy: -22.559
tors. eta vs tors. theta energy: -46.458
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: 4, replica: 10
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -442.826490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.826490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.826490 (E_RNA)
where:
Base-Base interactions energy: -308.009
where: short stacking energy: -115.313
Base-Backbone interact. energy: -0.779
local terms energy: -134.038496
where:
bonds (distance) C4'-P energy: -30.659
bonds (distance) P-C4' energy: -34.952
flat angles C4'-P-C4' energy: -27.748
flat angles P-C4'-P energy: -19.530
tors. eta vs tors. theta energy: -21.149
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: 4
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -418.918406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.918406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.918406 (E_RNA)
where:
Base-Base interactions energy: -280.384
where: short stacking energy: -134.446
Base-Backbone interact. energy: 1.389
local terms energy: -139.923070
where:
bonds (distance) C4'-P energy: -27.336
bonds (distance) P-C4' energy: -31.407
flat angles C4'-P-C4' energy: -33.957
flat angles P-C4'-P energy: -19.029
tors. eta vs tors. theta energy: -28.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -351.263779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.263779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.263779 (E_RNA)
where:
Base-Base interactions energy: -221.047
where: short stacking energy: -101.599
Base-Backbone interact. energy: -0.435
local terms energy: -129.782723
where:
bonds (distance) C4'-P energy: -38.766
bonds (distance) P-C4' energy: -24.529
flat angles C4'-P-C4' energy: -26.378
flat angles P-C4'-P energy: -19.534
tors. eta vs tors. theta energy: -20.576
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: 1
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -337.897220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.897220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.897220 (E_RNA)
where:
Base-Base interactions energy: -214.193
where: short stacking energy: -98.222
Base-Backbone interact. energy: -0.250
local terms energy: -123.454206
where:
bonds (distance) C4'-P energy: -26.822
bonds (distance) P-C4' energy: -30.851
flat angles C4'-P-C4' energy: -28.015
flat angles P-C4'-P energy: -21.039
tors. eta vs tors. theta energy: -16.727
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: 8, replica: 3
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -336.694445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.694445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.694445 (E_RNA)
where:
Base-Base interactions energy: -206.262
where: short stacking energy: -90.371
Base-Backbone interact. energy: -1.132
local terms energy: -129.301266
where:
bonds (distance) C4'-P energy: -25.629
bonds (distance) P-C4' energy: -29.700
flat angles C4'-P-C4' energy: -33.051
flat angles P-C4'-P energy: -19.345
tors. eta vs tors. theta energy: -21.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -316.178849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.178849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.178849 (E_RNA)
where:
Base-Base interactions energy: -205.574
where: short stacking energy: -81.591
Base-Backbone interact. energy: -1.336
local terms energy: -109.268575
where:
bonds (distance) C4'-P energy: -32.446
bonds (distance) P-C4' energy: -30.059
flat angles C4'-P-C4' energy: -29.057
flat angles P-C4'-P energy: -11.706
tors. eta vs tors. theta energy: -6.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -232.533138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.533138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.533138 (E_RNA)
where:
Base-Base interactions energy: -125.662
where: short stacking energy: -81.398
Base-Backbone interact. energy: -0.271
local terms energy: -106.600685
where:
bonds (distance) C4'-P energy: -28.507
bonds (distance) P-C4' energy: -21.022
flat angles C4'-P-C4' energy: -25.620
flat angles P-C4'-P energy: -20.296
tors. eta vs tors. theta energy: -11.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -553.125729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.125729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.125729 (E_RNA)
where:
Base-Base interactions energy: -363.467
where: short stacking energy: -180.823
Base-Backbone interact. energy: -0.183
local terms energy: -189.475857
where:
bonds (distance) C4'-P energy: -34.429
bonds (distance) P-C4' energy: -35.120
flat angles C4'-P-C4' energy: -37.976
flat angles P-C4'-P energy: -30.827
tors. eta vs tors. theta energy: -51.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -514.421988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.421988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.421988 (E_RNA)
where:
Base-Base interactions energy: -346.592
where: short stacking energy: -161.564
Base-Backbone interact. energy: 0.050
local terms energy: -167.879279
where:
bonds (distance) C4'-P energy: -37.757
bonds (distance) P-C4' energy: -32.385
flat angles C4'-P-C4' energy: -32.426
flat angles P-C4'-P energy: -20.253
tors. eta vs tors. theta energy: -45.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -502.122665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.122665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.122665 (E_RNA)
where:
Base-Base interactions energy: -338.241
where: short stacking energy: -157.218
Base-Backbone interact. energy: 0.349
local terms energy: -164.230615
where:
bonds (distance) C4'-P energy: -27.383
bonds (distance) P-C4' energy: -32.437
flat angles C4'-P-C4' energy: -41.235
flat angles P-C4'-P energy: -19.084
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: 4, replica: 4
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -454.932817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.932817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.932817 (E_RNA)
where:
Base-Base interactions energy: -302.511
where: short stacking energy: -138.637
Base-Backbone interact. energy: -0.545
local terms energy: -151.876923
where:
bonds (distance) C4'-P energy: -31.545
bonds (distance) P-C4' energy: -26.497
flat angles C4'-P-C4' energy: -38.727
flat angles P-C4'-P energy: -20.554
tors. eta vs tors. theta energy: -34.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -445.990512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.990512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.990512 (E_RNA)
where:
Base-Base interactions energy: -299.801
where: short stacking energy: -132.226
Base-Backbone interact. energy: 1.028
local terms energy: -147.217813
where:
bonds (distance) C4'-P energy: -28.857
bonds (distance) P-C4' energy: -26.189
flat angles C4'-P-C4' energy: -34.839
flat angles P-C4'-P energy: -24.138
tors. eta vs tors. theta energy: -33.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -337.067521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.067521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.067521 (E_RNA)
where:
Base-Base interactions energy: -196.975
where: short stacking energy: -93.675
Base-Backbone interact. energy: 0.916
local terms energy: -141.007835
where:
bonds (distance) C4'-P energy: -33.214
bonds (distance) P-C4' energy: -35.321
flat angles C4'-P-C4' energy: -30.292
flat angles P-C4'-P energy: -23.094
tors. eta vs tors. theta energy: -19.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -373.385145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.385145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.385145 (E_RNA)
where:
Base-Base interactions energy: -240.475
where: short stacking energy: -111.885
Base-Backbone interact. energy: -0.553
local terms energy: -132.356896
where:
bonds (distance) C4'-P energy: -26.824
bonds (distance) P-C4' energy: -34.772
flat angles C4'-P-C4' energy: -28.026
flat angles P-C4'-P energy: -23.304
tors. eta vs tors. theta energy: -19.430
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: 3
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -301.996407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.996407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.996407 (E_RNA)
where:
Base-Base interactions energy: -176.442
where: short stacking energy: -78.872
Base-Backbone interact. energy: -1.065
local terms energy: -124.488863
where:
bonds (distance) C4'-P energy: -32.147
bonds (distance) P-C4' energy: -32.520
flat angles C4'-P-C4' energy: -29.867
flat angles P-C4'-P energy: -21.502
tors. eta vs tors. theta energy: -8.453
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: 2
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -306.831815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.831815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.831815 (E_RNA)
where:
Base-Base interactions energy: -186.743
where: short stacking energy: -94.608
Base-Backbone interact. energy: 2.313
local terms energy: -122.402000
where:
bonds (distance) C4'-P energy: -24.016
bonds (distance) P-C4' energy: -36.028
flat angles C4'-P-C4' energy: -34.220
flat angles P-C4'-P energy: -13.717
tors. eta vs tors. theta energy: -14.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -230.412190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.412190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.412190 (E_RNA)
where:
Base-Base interactions energy: -130.787
where: short stacking energy: -83.300
Base-Backbone interact. energy: 0.301
local terms energy: -99.926275
where:
bonds (distance) C4'-P energy: -26.306
bonds (distance) P-C4' energy: -25.392
flat angles C4'-P-C4' energy: -20.728
flat angles P-C4'-P energy: -13.550
tors. eta vs tors. theta energy: -13.951
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: 5
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -557.564170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.564170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.564170 (E_RNA)
where:
Base-Base interactions energy: -370.943
where: short stacking energy: -195.331
Base-Backbone interact. energy: -0.709
local terms energy: -185.912458
where:
bonds (distance) C4'-P energy: -28.830
bonds (distance) P-C4' energy: -34.119
flat angles C4'-P-C4' energy: -43.989
flat angles P-C4'-P energy: -24.804
tors. eta vs tors. theta energy: -54.170
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: 9
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -511.701143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.701143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.701143 (E_RNA)
where:
Base-Base interactions energy: -351.007
where: short stacking energy: -154.349
Base-Backbone interact. energy: 1.765
local terms energy: -162.459139
where:
bonds (distance) C4'-P energy: -32.434
bonds (distance) P-C4' energy: -33.296
flat angles C4'-P-C4' energy: -36.306
flat angles P-C4'-P energy: -24.955
tors. eta vs tors. theta energy: -35.468
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: 6
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -499.345788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.345788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.345788 (E_RNA)
where:
Base-Base interactions energy: -332.527
where: short stacking energy: -155.786
Base-Backbone interact. energy: -1.552
local terms energy: -165.266579
where:
bonds (distance) C4'-P energy: -35.902
bonds (distance) P-C4' energy: -32.122
flat angles C4'-P-C4' energy: -38.195
flat angles P-C4'-P energy: -18.550
tors. eta vs tors. theta energy: -40.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -490.004216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.004216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.004216 (E_RNA)
where:
Base-Base interactions energy: -334.355
where: short stacking energy: -152.102
Base-Backbone interact. energy: -0.324
local terms energy: -155.325962
where:
bonds (distance) C4'-P energy: -28.060
bonds (distance) P-C4' energy: -37.681
flat angles C4'-P-C4' energy: -37.272
flat angles P-C4'-P energy: -18.212
tors. eta vs tors. theta energy: -34.101
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: 10
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -428.305456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.305456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.305456 (E_RNA)
where:
Base-Base interactions energy: -287.649
where: short stacking energy: -116.759
Base-Backbone interact. energy: -0.107
local terms energy: -140.549317
where:
bonds (distance) C4'-P energy: -29.489
bonds (distance) P-C4' energy: -35.728
flat angles C4'-P-C4' energy: -33.282
flat angles P-C4'-P energy: -19.769
tors. eta vs tors. theta energy: -22.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -360.706020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.706020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.706020 (E_RNA)
where:
Base-Base interactions energy: -225.460
where: short stacking energy: -106.893
Base-Backbone interact. energy: -1.467
local terms energy: -133.778570
where:
bonds (distance) C4'-P energy: -25.862
bonds (distance) P-C4' energy: -33.925
flat angles C4'-P-C4' energy: -33.380
flat angles P-C4'-P energy: -20.777
tors. eta vs tors. theta energy: -19.834
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: 7, replica: 8
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -376.491008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.491008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.491008 (E_RNA)
where:
Base-Base interactions energy: -247.335
where: short stacking energy: -113.408
Base-Backbone interact. energy: 1.032
local terms energy: -130.187480
where:
bonds (distance) C4'-P energy: -31.517
bonds (distance) P-C4' energy: -25.985
flat angles C4'-P-C4' energy: -32.845
flat angles P-C4'-P energy: -13.167
tors. eta vs tors. theta energy: -26.675
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: 3
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -345.359825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.359825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.359825 (E_RNA)
where:
Base-Base interactions energy: -203.930
where: short stacking energy: -106.332
Base-Backbone interact. energy: -0.422
local terms energy: -141.007954
where:
bonds (distance) C4'-P energy: -35.693
bonds (distance) P-C4' energy: -33.143
flat angles C4'-P-C4' energy: -35.105
flat angles P-C4'-P energy: -13.395
tors. eta vs tors. theta energy: -23.672
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: 9, replica: 2
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -301.502202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.502202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.502202 (E_RNA)
where:
Base-Base interactions energy: -174.727
where: short stacking energy: -85.757
Base-Backbone interact. energy: 1.139
local terms energy: -127.913962
where:
bonds (distance) C4'-P energy: -29.203
bonds (distance) P-C4' energy: -32.870
flat angles C4'-P-C4' energy: -34.474
flat angles P-C4'-P energy: -21.345
tors. eta vs tors. theta energy: -10.022
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: 196
Temperature: 1.350000
Total energy: -225.077165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.077165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.077165 (E_RNA)
where:
Base-Base interactions energy: -108.412
where: short stacking energy: -62.525
Base-Backbone interact. energy: 0.345
local terms energy: -117.010122
where:
bonds (distance) C4'-P energy: -29.075
bonds (distance) P-C4' energy: -35.147
flat angles C4'-P-C4' energy: -25.351
flat angles P-C4'-P energy: -20.329
tors. eta vs tors. theta energy: -7.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -555.992693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.992693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.992693 (E_RNA)
where:
Base-Base interactions energy: -372.144
where: short stacking energy: -184.923
Base-Backbone interact. energy: -0.531
local terms energy: -183.317645
where:
bonds (distance) C4'-P energy: -28.719
bonds (distance) P-C4' energy: -33.254
flat angles C4'-P-C4' energy: -40.021
flat angles P-C4'-P energy: -28.109
tors. eta vs tors. theta energy: -53.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -530.022120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.022120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.022120 (E_RNA)
where:
Base-Base interactions energy: -354.130
where: short stacking energy: -163.431
Base-Backbone interact. energy: -2.235
local terms energy: -173.656719
where:
bonds (distance) C4'-P energy: -28.525
bonds (distance) P-C4' energy: -33.273
flat angles C4'-P-C4' energy: -36.856
flat angles P-C4'-P energy: -30.907
tors. eta vs tors. theta energy: -44.097
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: 3, replica: 6
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -520.104518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.104518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.104518 (E_RNA)
where:
Base-Base interactions energy: -336.785
where: short stacking energy: -150.730
Base-Backbone interact. energy: -1.047
local terms energy: -182.272698
where:
bonds (distance) C4'-P energy: -37.434
bonds (distance) P-C4' energy: -40.302
flat angles C4'-P-C4' energy: -36.875
flat angles P-C4'-P energy: -25.837
tors. eta vs tors. theta energy: -41.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -478.414056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.414056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.414056 (E_RNA)
where:
Base-Base interactions energy: -322.360
where: short stacking energy: -144.431
Base-Backbone interact. energy: -0.593
local terms energy: -155.461111
where:
bonds (distance) C4'-P energy: -37.765
bonds (distance) P-C4' energy: -33.322
flat angles C4'-P-C4' energy: -29.067
flat angles P-C4'-P energy: -23.422
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: 5, replica: 10
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -446.160400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.160400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.160400 (E_RNA)
where:
Base-Base interactions energy: -296.650
where: short stacking energy: -130.691
Base-Backbone interact. energy: -0.050
local terms energy: -149.460569
where:
bonds (distance) C4'-P energy: -33.150
bonds (distance) P-C4' energy: -31.521
flat angles C4'-P-C4' energy: -34.341
flat angles P-C4'-P energy: -20.275
tors. eta vs tors. theta energy: -30.173
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: 1
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -342.930779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.930779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.930779 (E_RNA)
where:
Base-Base interactions energy: -198.841
where: short stacking energy: -114.340
Base-Backbone interact. energy: -0.471
local terms energy: -143.618192
where:
bonds (distance) C4'-P energy: -30.663
bonds (distance) P-C4' energy: -33.256
flat angles C4'-P-C4' energy: -36.710
flat angles P-C4'-P energy: -18.955
tors. eta vs tors. theta energy: -24.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -328.977026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.977026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.977026 (E_RNA)
where:
Base-Base interactions energy: -196.874
where: short stacking energy: -102.739
Base-Backbone interact. energy: -0.285
local terms energy: -131.818348
where:
bonds (distance) C4'-P energy: -29.717
bonds (distance) P-C4' energy: -32.612
flat angles C4'-P-C4' energy: -27.293
flat angles P-C4'-P energy: -23.884
tors. eta vs tors. theta energy: -18.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -313.192769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.192769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.192769 (E_RNA)
where:
Base-Base interactions energy: -181.899
where: short stacking energy: -99.869
Base-Backbone interact. energy: 0.754
local terms energy: -132.048258
where:
bonds (distance) C4'-P energy: -24.372
bonds (distance) P-C4' energy: -37.192
flat angles C4'-P-C4' energy: -30.461
flat angles P-C4'-P energy: -24.307
tors. eta vs tors. theta energy: -15.716
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: 3
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -301.052398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.052398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.052398 (E_RNA)
where:
Base-Base interactions energy: -185.166
where: short stacking energy: -94.195
Base-Backbone interact. energy: -0.662
local terms energy: -115.224212
where:
bonds (distance) C4'-P energy: -30.304
bonds (distance) P-C4' energy: -30.139
flat angles C4'-P-C4' energy: -19.644
flat angles P-C4'-P energy: -15.084
tors. eta vs tors. theta energy: -20.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -243.447714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.447714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.447714 (E_RNA)
where:
Base-Base interactions energy: -122.285
where: short stacking energy: -71.559
Base-Backbone interact. energy: 0.520
local terms energy: -121.683258
where:
bonds (distance) C4'-P energy: -32.606
bonds (distance) P-C4' energy: -32.313
flat angles C4'-P-C4' energy: -31.143
flat angles P-C4'-P energy: -17.397
tors. eta vs tors. theta energy: -8.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -549.104843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.104843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.104843 (E_RNA)
where:
Base-Base interactions energy: -368.916
where: short stacking energy: -171.759
Base-Backbone interact. energy: -0.554
local terms energy: -179.635313
where:
bonds (distance) C4'-P energy: -38.108
bonds (distance) P-C4' energy: -30.502
flat angles C4'-P-C4' energy: -37.876
flat angles P-C4'-P energy: -27.591
tors. eta vs tors. theta energy: -45.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -549.815311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.815311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.815311 (E_RNA)
where:
Base-Base interactions energy: -377.018
where: short stacking energy: -186.288
Base-Backbone interact. energy: -0.068
local terms energy: -172.729296
where:
bonds (distance) C4'-P energy: -36.760
bonds (distance) P-C4' energy: -32.412
flat angles C4'-P-C4' energy: -34.108
flat angles P-C4'-P energy: -22.674
tors. eta vs tors. theta energy: -46.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -511.074431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.074431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.074431 (E_RNA)
where:
Base-Base interactions energy: -351.670
where: short stacking energy: -164.562
Base-Backbone interact. energy: -0.033
local terms energy: -159.371435
where:
bonds (distance) C4'-P energy: -31.603
bonds (distance) P-C4' energy: -33.163
flat angles C4'-P-C4' energy: -28.205
flat angles P-C4'-P energy: -25.955
tors. eta vs tors. theta energy: -40.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -467.800491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.800491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.800491 (E_RNA)
where:
Base-Base interactions energy: -306.173
where: short stacking energy: -139.640
Base-Backbone interact. energy: -0.355
local terms energy: -161.272973
where:
bonds (distance) C4'-P energy: -33.381
bonds (distance) P-C4' energy: -32.206
flat angles C4'-P-C4' energy: -37.759
flat angles P-C4'-P energy: -20.047
tors. eta vs tors. theta energy: -37.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -421.928222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.928222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.928222 (E_RNA)
where:
Base-Base interactions energy: -286.491
where: short stacking energy: -114.917
Base-Backbone interact. energy: -1.232
local terms energy: -134.206120
where:
bonds (distance) C4'-P energy: -24.036
bonds (distance) P-C4' energy: -27.520
flat angles C4'-P-C4' energy: -31.172
flat angles P-C4'-P energy: -21.455
tors. eta vs tors. theta energy: -30.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -340.618301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.618301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.618301 (E_RNA)
where:
Base-Base interactions energy: -200.398
where: short stacking energy: -95.329
Base-Backbone interact. energy: -0.271
local terms energy: -139.949417
where:
bonds (distance) C4'-P energy: -30.171
bonds (distance) P-C4' energy: -38.791
flat angles C4'-P-C4' energy: -33.399
flat angles P-C4'-P energy: -21.219
tors. eta vs tors. theta energy: -16.369
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: 8
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -325.219426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.219426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.219426 (E_RNA)
where:
Base-Base interactions energy: -204.205
where: short stacking energy: -95.021
Base-Backbone interact. energy: -0.966
local terms energy: -120.048527
where:
bonds (distance) C4'-P energy: -24.171
bonds (distance) P-C4' energy: -35.643
flat angles C4'-P-C4' energy: -31.709
flat angles P-C4'-P energy: -14.358
tors. eta vs tors. theta energy: -14.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -302.854928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.854928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.854928 (E_RNA)
where:
Base-Base interactions energy: -198.608
where: short stacking energy: -89.810
Base-Backbone interact. energy: 0.225
local terms energy: -104.472043
where:
bonds (distance) C4'-P energy: -25.508
bonds (distance) P-C4' energy: -31.656
flat angles C4'-P-C4' energy: -26.168
flat angles P-C4'-P energy: -8.774
tors. eta vs tors. theta energy: -12.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -239.447267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.447267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.447267 (E_RNA)
where:
Base-Base interactions energy: -117.529
where: short stacking energy: -76.132
Base-Backbone interact. energy: -1.849
local terms energy: -120.069234
where:
bonds (distance) C4'-P energy: -23.690
bonds (distance) P-C4' energy: -35.073
flat angles C4'-P-C4' energy: -26.863
flat angles P-C4'-P energy: -24.458
tors. eta vs tors. theta energy: -9.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -281.527501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.527501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.527501 (E_RNA)
where:
Base-Base interactions energy: -183.839
where: short stacking energy: -92.681
Base-Backbone interact. energy: 0.590
local terms energy: -98.277753
where:
bonds (distance) C4'-P energy: -17.602
bonds (distance) P-C4' energy: -21.927
flat angles C4'-P-C4' energy: -28.332
flat angles P-C4'-P energy: -15.337
tors. eta vs tors. theta energy: -15.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -540.035222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.035222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.035222 (E_RNA)
where:
Base-Base interactions energy: -369.112
where: short stacking energy: -173.547
Base-Backbone interact. energy: -0.311
local terms energy: -170.612487
where:
bonds (distance) C4'-P energy: -32.631
bonds (distance) P-C4' energy: -38.729
flat angles C4'-P-C4' energy: -35.784
flat angles P-C4'-P energy: -22.299
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: 2, replica: 5
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -547.203429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.203429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.203429 (E_RNA)
where:
Base-Base interactions energy: -353.815
where: short stacking energy: -182.618
Base-Backbone interact. energy: -0.017
local terms energy: -193.372045
where:
bonds (distance) C4'-P energy: -38.774
bonds (distance) P-C4' energy: -31.161
flat angles C4'-P-C4' energy: -41.721
flat angles P-C4'-P energy: -26.150
tors. eta vs tors. theta energy: -55.566
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: 6
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -508.788866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.788866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.788866 (E_RNA)
where:
Base-Base interactions energy: -333.824
where: short stacking energy: -164.691
Base-Backbone interact. energy: -0.669
local terms energy: -174.296252
where:
bonds (distance) C4'-P energy: -36.472
bonds (distance) P-C4' energy: -34.303
flat angles C4'-P-C4' energy: -40.581
flat angles P-C4'-P energy: -21.772
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: 4, replica: 4
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -463.148058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.148058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.148058 (E_RNA)
where:
Base-Base interactions energy: -311.035
where: short stacking energy: -140.588
Base-Backbone interact. energy: 0.636
local terms energy: -152.748980
where:
bonds (distance) C4'-P energy: -31.773
bonds (distance) P-C4' energy: -35.244
flat angles C4'-P-C4' energy: -35.527
flat angles P-C4'-P energy: -21.046
tors. eta vs tors. theta energy: -29.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -426.911141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.911141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.911141 (E_RNA)
where:
Base-Base interactions energy: -288.908
where: short stacking energy: -124.311
Base-Backbone interact. energy: -0.956
local terms energy: -137.047429
where:
bonds (distance) C4'-P energy: -22.181
bonds (distance) P-C4' energy: -32.226
flat angles C4'-P-C4' energy: -35.102
flat angles P-C4'-P energy: -17.972
tors. eta vs tors. theta energy: -29.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -343.197613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.197613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.197613 (E_RNA)
where:
Base-Base interactions energy: -205.427
where: short stacking energy: -102.661
Base-Backbone interact. energy: 0.086
local terms energy: -137.856849
where:
bonds (distance) C4'-P energy: -36.399
bonds (distance) P-C4' energy: -31.932
flat angles C4'-P-C4' energy: -30.478
flat angles P-C4'-P energy: -18.161
tors. eta vs tors. theta energy: -20.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -318.759743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.759743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.759743 (E_RNA)
where:
Base-Base interactions energy: -196.997
where: short stacking energy: -99.711
Base-Backbone interact. energy: -0.909
local terms energy: -120.854287
where:
bonds (distance) C4'-P energy: -29.863
bonds (distance) P-C4' energy: -30.238
flat angles C4'-P-C4' energy: -25.620
flat angles P-C4'-P energy: -15.051
tors. eta vs tors. theta energy: -20.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -320.817167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.817167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.817167 (E_RNA)
where:
Base-Base interactions energy: -187.430
where: short stacking energy: -80.498
Base-Backbone interact. energy: -0.496
local terms energy: -132.891392
where:
bonds (distance) C4'-P energy: -31.153
bonds (distance) P-C4' energy: -33.824
flat angles C4'-P-C4' energy: -31.932
flat angles P-C4'-P energy: -20.901
tors. eta vs tors. theta energy: -15.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -242.342537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.342537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.342537 (E_RNA)
where:
Base-Base interactions energy: -131.764
where: short stacking energy: -91.755
Base-Backbone interact. energy: 1.543
local terms energy: -112.122177
where:
bonds (distance) C4'-P energy: -35.085
bonds (distance) P-C4' energy: -22.672
flat angles C4'-P-C4' energy: -23.350
flat angles P-C4'-P energy: -3.399
tors. eta vs tors. theta energy: -27.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -213.842379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.842379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.842379 (E_RNA)
where:
Base-Base interactions energy: -116.709
where: short stacking energy: -67.684
Base-Backbone interact. energy: -0.060
local terms energy: -97.073231
where:
bonds (distance) C4'-P energy: -30.360
bonds (distance) P-C4' energy: -27.711
flat angles C4'-P-C4' energy: -27.882
flat angles P-C4'-P energy: -15.693
tors. eta vs tors. theta energy: 4.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -548.869694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.869694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.869694 (E_RNA)
where:
Base-Base interactions energy: -361.218
where: short stacking energy: -166.135
Base-Backbone interact. energy: -0.018
local terms energy: -187.634265
where:
bonds (distance) C4'-P energy: -37.123
bonds (distance) P-C4' energy: -35.517
flat angles C4'-P-C4' energy: -39.816
flat angles P-C4'-P energy: -28.692
tors. eta vs tors. theta energy: -46.486
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: 2, replica: 5
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -530.904170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.904170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.904170 (E_RNA)
where:
Base-Base interactions energy: -349.457
where: short stacking energy: -177.369
Base-Backbone interact. energy: -1.068
local terms energy: -180.379680
where:
bonds (distance) C4'-P energy: -34.088
bonds (distance) P-C4' energy: -38.666
flat angles C4'-P-C4' energy: -40.196
flat angles P-C4'-P energy: -21.480
tors. eta vs tors. theta energy: -45.950
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: 6
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -505.978266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.978266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.978266 (E_RNA)
where:
Base-Base interactions energy: -329.091
where: short stacking energy: -155.540
Base-Backbone interact. energy: -0.295
local terms energy: -176.592444
where:
bonds (distance) C4'-P energy: -33.629
bonds (distance) P-C4' energy: -29.970
flat angles C4'-P-C4' energy: -38.060
flat angles P-C4'-P energy: -28.285
tors. eta vs tors. theta energy: -46.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -478.308221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.308221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.308221 (E_RNA)
where:
Base-Base interactions energy: -326.618
where: short stacking energy: -143.387
Base-Backbone interact. energy: -0.478
local terms energy: -151.212607
where:
bonds (distance) C4'-P energy: -30.262
bonds (distance) P-C4' energy: -35.072
flat angles C4'-P-C4' energy: -36.645
flat angles P-C4'-P energy: -17.976
tors. eta vs tors. theta energy: -31.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -450.201386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.201386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.201386 (E_RNA)
where:
Base-Base interactions energy: -302.345
where: short stacking energy: -121.034
Base-Backbone interact. energy: -0.456
local terms energy: -147.400093
where:
bonds (distance) C4'-P energy: -34.655
bonds (distance) P-C4' energy: -34.209
flat angles C4'-P-C4' energy: -34.582
flat angles P-C4'-P energy: -15.599
tors. eta vs tors. theta energy: -28.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -322.313217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.313217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.313217 (E_RNA)
where:
Base-Base interactions energy: -188.086
where: short stacking energy: -98.996
Base-Backbone interact. energy: -0.296
local terms energy: -133.931385
where:
bonds (distance) C4'-P energy: -26.767
bonds (distance) P-C4' energy: -33.830
flat angles C4'-P-C4' energy: -39.185
flat angles P-C4'-P energy: -19.703
tors. eta vs tors. theta energy: -14.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -345.824477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.824477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.824477 (E_RNA)
where:
Base-Base interactions energy: -211.805
where: short stacking energy: -99.273
Base-Backbone interact. energy: 0.145
local terms energy: -134.164259
where:
bonds (distance) C4'-P energy: -27.394
bonds (distance) P-C4' energy: -37.469
flat angles C4'-P-C4' energy: -26.877
flat angles P-C4'-P energy: -24.931
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: 8, replica: 2
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -307.313080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.313080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.313080 (E_RNA)
where:
Base-Base interactions energy: -182.916
where: short stacking energy: -101.606
Base-Backbone interact. energy: -0.114
local terms energy: -124.282912
where:
bonds (distance) C4'-P energy: -24.747
bonds (distance) P-C4' energy: -28.671
flat angles C4'-P-C4' energy: -30.787
flat angles P-C4'-P energy: -16.102
tors. eta vs tors. theta energy: -23.975
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: 7
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -243.134660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.134660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.134660 (E_RNA)
where:
Base-Base interactions energy: -131.979
where: short stacking energy: -66.165
Base-Backbone interact. energy: -0.804
local terms energy: -110.351602
where:
bonds (distance) C4'-P energy: -25.257
bonds (distance) P-C4' energy: -28.454
flat angles C4'-P-C4' energy: -27.016
flat angles P-C4'-P energy: -24.331
tors. eta vs tors. theta energy: -5.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -166.471276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.471276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.471276 (E_RNA)
where:
Base-Base interactions energy: -62.807
where: short stacking energy: -52.098
Base-Backbone interact. energy: -0.297
local terms energy: -103.367238
where:
bonds (distance) C4'-P energy: -30.073
bonds (distance) P-C4' energy: -37.787
flat angles C4'-P-C4' energy: -27.105
flat angles P-C4'-P energy: -13.961
tors. eta vs tors. theta energy: 5.559
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: 201
Temperature: 0.900000
Total energy: -550.169620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.169620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.169620 (E_RNA)
where:
Base-Base interactions energy: -366.768
where: short stacking energy: -168.595
Base-Backbone interact. energy: -0.618
local terms energy: -182.783369
where:
bonds (distance) C4'-P energy: -37.445
bonds (distance) P-C4' energy: -37.997
flat angles C4'-P-C4' energy: -36.146
flat angles P-C4'-P energy: -27.184
tors. eta vs tors. theta energy: -44.010
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: 5
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -537.008204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.008204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.008204 (E_RNA)
where:
Base-Base interactions energy: -359.116
where: short stacking energy: -174.941
Base-Backbone interact. energy: -0.089
local terms energy: -177.803248
where:
bonds (distance) C4'-P energy: -27.201
bonds (distance) P-C4' energy: -32.811
flat angles C4'-P-C4' energy: -42.039
flat angles P-C4'-P energy: -21.586
tors. eta vs tors. theta energy: -54.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -520.376026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.376026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.376026 (E_RNA)
where:
Base-Base interactions energy: -347.261
where: short stacking energy: -158.415
Base-Backbone interact. energy: -0.246
local terms energy: -172.869590
where:
bonds (distance) C4'-P energy: -33.773
bonds (distance) P-C4' energy: -33.829
flat angles C4'-P-C4' energy: -37.693
flat angles P-C4'-P energy: -26.987
tors. eta vs tors. theta energy: -40.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -461.183623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.183623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.183623 (E_RNA)
where:
Base-Base interactions energy: -305.902
where: short stacking energy: -134.230
Base-Backbone interact. energy: 3.284
local terms energy: -158.565935
where:
bonds (distance) C4'-P energy: -35.677
bonds (distance) P-C4' energy: -36.458
flat angles C4'-P-C4' energy: -36.297
flat angles P-C4'-P energy: -18.624
tors. eta vs tors. theta energy: -31.509
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: 4
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -469.169086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.169086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.169086 (E_RNA)
where:
Base-Base interactions energy: -314.807
where: short stacking energy: -148.188
Base-Backbone interact. energy: -1.316
local terms energy: -153.046524
where:
bonds (distance) C4'-P energy: -26.298
bonds (distance) P-C4' energy: -31.831
flat angles C4'-P-C4' energy: -40.816
flat angles P-C4'-P energy: -24.848
tors. eta vs tors. theta energy: -29.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -361.904680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.904680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.904680 (E_RNA)
where:
Base-Base interactions energy: -213.979
where: short stacking energy: -107.235
Base-Backbone interact. energy: -0.779
local terms energy: -147.147205
where:
bonds (distance) C4'-P energy: -32.062
bonds (distance) P-C4' energy: -33.153
flat angles C4'-P-C4' energy: -34.470
flat angles P-C4'-P energy: -21.703
tors. eta vs tors. theta energy: -25.759
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: 1
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -329.717069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.717069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.717069 (E_RNA)
where:
Base-Base interactions energy: -198.126
where: short stacking energy: -83.405
Base-Backbone interact. energy: -0.597
local terms energy: -130.994005
where:
bonds (distance) C4'-P energy: -32.221
bonds (distance) P-C4' energy: -35.504
flat angles C4'-P-C4' energy: -30.747
flat angles P-C4'-P energy: -18.177
tors. eta vs tors. theta energy: -14.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -313.896718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.896718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.896718 (E_RNA)
where:
Base-Base interactions energy: -196.851
where: short stacking energy: -90.526
Base-Backbone interact. energy: -0.124
local terms energy: -116.921619
where:
bonds (distance) C4'-P energy: -31.309
bonds (distance) P-C4' energy: -23.121
flat angles C4'-P-C4' energy: -28.221
flat angles P-C4'-P energy: -22.629
tors. eta vs tors. theta energy: -11.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -221.100512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.100512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.100512 (E_RNA)
where:
Base-Base interactions energy: -121.728
where: short stacking energy: -75.317
Base-Backbone interact. energy: 0.078
local terms energy: -99.449887
where:
bonds (distance) C4'-P energy: -22.614
bonds (distance) P-C4' energy: -29.844
flat angles C4'-P-C4' energy: -30.762
flat angles P-C4'-P energy: -15.390
tors. eta vs tors. theta energy: -0.840
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: 201
Temperature: 1.350000
Total energy: -160.300580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.300580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.300580 (E_RNA)
where:
Base-Base interactions energy: -63.995
where: short stacking energy: -54.326
Base-Backbone interact. energy: -1.657
local terms energy: -94.648490
where:
bonds (distance) C4'-P energy: -21.051
bonds (distance) P-C4' energy: -31.575
flat angles C4'-P-C4' energy: -26.636
flat angles P-C4'-P energy: -14.706
tors. eta vs tors. theta energy: -0.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -526.568264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.568264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.568264 (E_RNA)
where:
Base-Base interactions energy: -361.548
where: short stacking energy: -168.153
Base-Backbone interact. energy: -0.439
local terms energy: -164.581176
where:
bonds (distance) C4'-P energy: -35.047
bonds (distance) P-C4' energy: -34.033
flat angles C4'-P-C4' energy: -38.221
flat angles P-C4'-P energy: -22.266
tors. eta vs tors. theta energy: -35.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -538.941187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.941187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.941187 (E_RNA)
where:
Base-Base interactions energy: -351.014
where: short stacking energy: -177.232
Base-Backbone interact. energy: -0.209
local terms energy: -187.718045
where:
bonds (distance) C4'-P energy: -31.019
bonds (distance) P-C4' energy: -37.171
flat angles C4'-P-C4' energy: -39.960
flat angles P-C4'-P energy: -28.665
tors. eta vs tors. theta energy: -50.903
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: 6
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -529.175919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.175919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.175919 (E_RNA)
where:
Base-Base interactions energy: -345.538
where: short stacking energy: -167.596
Base-Backbone interact. energy: -0.528
local terms energy: -183.109148
where:
bonds (distance) C4'-P energy: -35.958
bonds (distance) P-C4' energy: -29.297
flat angles C4'-P-C4' energy: -40.406
flat angles P-C4'-P energy: -26.783
tors. eta vs tors. theta energy: -50.664
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: 10
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -477.209867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.209867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.209867 (E_RNA)
where:
Base-Base interactions energy: -326.825
where: short stacking energy: -128.068
Base-Backbone interact. energy: -1.404
local terms energy: -148.980423
where:
bonds (distance) C4'-P energy: -36.228
bonds (distance) P-C4' energy: -34.915
flat angles C4'-P-C4' energy: -33.569
flat angles P-C4'-P energy: -16.640
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: 5, replica: 4
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -497.372278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.372278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.372278 (E_RNA)
where:
Base-Base interactions energy: -352.253
where: short stacking energy: -150.853
Base-Backbone interact. energy: -0.021
local terms energy: -145.097984
where:
bonds (distance) C4'-P energy: -20.556
bonds (distance) P-C4' energy: -27.610
flat angles C4'-P-C4' energy: -34.875
flat angles P-C4'-P energy: -24.527
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: 6, replica: 8
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -371.748236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.748236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.748236 (E_RNA)
where:
Base-Base interactions energy: -218.803
where: short stacking energy: -115.564
Base-Backbone interact. energy: -0.649
local terms energy: -152.295730
where:
bonds (distance) C4'-P energy: -34.745
bonds (distance) P-C4' energy: -36.274
flat angles C4'-P-C4' energy: -34.447
flat angles P-C4'-P energy: -20.647
tors. eta vs tors. theta energy: -26.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -331.139543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.139543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.139543 (E_RNA)
where:
Base-Base interactions energy: -209.131
where: short stacking energy: -97.203
Base-Backbone interact. energy: -0.400
local terms energy: -121.609003
where:
bonds (distance) C4'-P energy: -38.547
bonds (distance) P-C4' energy: -30.472
flat angles C4'-P-C4' energy: -32.496
flat angles P-C4'-P energy: -7.711
tors. eta vs tors. theta energy: -12.383
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: 1
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -324.000815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.000815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.000815 (E_RNA)
where:
Base-Base interactions energy: -196.654
where: short stacking energy: -78.108
Base-Backbone interact. energy: -0.370
local terms energy: -126.976804
where:
bonds (distance) C4'-P energy: -34.778
bonds (distance) P-C4' energy: -31.620
flat angles C4'-P-C4' energy: -29.642
flat angles P-C4'-P energy: -12.733
tors. eta vs tors. theta energy: -18.204
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: 202
Temperature: 1.300000
Total energy: -172.599726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.599726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.599726 (E_RNA)
where:
Base-Base interactions energy: -57.101
where: short stacking energy: -50.282
Base-Backbone interact. energy: -0.606
local terms energy: -114.892386
where:
bonds (distance) C4'-P energy: -27.974
bonds (distance) P-C4' energy: -31.572
flat angles C4'-P-C4' energy: -26.064
flat angles P-C4'-P energy: -26.048
tors. eta vs tors. theta energy: -3.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -167.592175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.592175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.592175 (E_RNA)
where:
Base-Base interactions energy: -65.070
where: short stacking energy: -53.718
Base-Backbone interact. energy: -0.322
local terms energy: -102.199740
where:
bonds (distance) C4'-P energy: -26.316
bonds (distance) P-C4' energy: -28.335
flat angles C4'-P-C4' energy: -29.257
flat angles P-C4'-P energy: -17.238
tors. eta vs tors. theta energy: -1.053
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: 9
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -527.495133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.495133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.495133 (E_RNA)
where:
Base-Base interactions energy: -369.786
where: short stacking energy: -158.448
Base-Backbone interact. energy: -1.384
local terms energy: -156.324307
where:
bonds (distance) C4'-P energy: -31.487
bonds (distance) P-C4' energy: -34.478
flat angles C4'-P-C4' energy: -39.612
flat angles P-C4'-P energy: -16.144
tors. eta vs tors. theta energy: -34.604
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: 5
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -535.027532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.027532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.027532 (E_RNA)
where:
Base-Base interactions energy: -359.949
where: short stacking energy: -186.012
Base-Backbone interact. energy: -0.166
local terms energy: -174.912270
where:
bonds (distance) C4'-P energy: -27.447
bonds (distance) P-C4' energy: -36.782
flat angles C4'-P-C4' energy: -32.376
flat angles P-C4'-P energy: -25.725
tors. eta vs tors. theta energy: -52.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -522.493942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.493942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.493942 (E_RNA)
where:
Base-Base interactions energy: -357.257
where: short stacking energy: -154.155
Base-Backbone interact. energy: -1.392
local terms energy: -163.845741
where:
bonds (distance) C4'-P energy: -33.116
bonds (distance) P-C4' energy: -33.042
flat angles C4'-P-C4' energy: -34.737
flat angles P-C4'-P energy: -21.850
tors. eta vs tors. theta energy: -41.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -486.124388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.124388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.124388 (E_RNA)
where:
Base-Base interactions energy: -321.134
where: short stacking energy: -139.603
Base-Backbone interact. energy: -0.433
local terms energy: -164.557789
where:
bonds (distance) C4'-P energy: -26.567
bonds (distance) P-C4' energy: -33.816
flat angles C4'-P-C4' energy: -35.383
flat angles P-C4'-P energy: -25.715
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: 5, replica: 10
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -452.848848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.848848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.848848 (E_RNA)
where:
Base-Base interactions energy: -303.478
where: short stacking energy: -139.148
Base-Backbone interact. energy: -1.361
local terms energy: -148.009541
where:
bonds (distance) C4'-P energy: -29.919
bonds (distance) P-C4' energy: -27.804
flat angles C4'-P-C4' energy: -35.577
flat angles P-C4'-P energy: -19.466
tors. eta vs tors. theta energy: -35.244
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: 203
Temperature: 1.150000
Total energy: -360.917369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.917369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.917369 (E_RNA)
where:
Base-Base interactions energy: -212.198
where: short stacking energy: -113.251
Base-Backbone interact. energy: 0.047
local terms energy: -148.766024
where:
bonds (distance) C4'-P energy: -29.965
bonds (distance) P-C4' energy: -33.030
flat angles C4'-P-C4' energy: -37.306
flat angles P-C4'-P energy: -22.684
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: 2
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -348.955858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.955858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.955858 (E_RNA)
where:
Base-Base interactions energy: -212.197
where: short stacking energy: -107.956
Base-Backbone interact. energy: -1.510
local terms energy: -135.248580
where:
bonds (distance) C4'-P energy: -31.360
bonds (distance) P-C4' energy: -37.453
flat angles C4'-P-C4' energy: -22.122
flat angles P-C4'-P energy: -23.389
tors. eta vs tors. theta energy: -20.925
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: 1
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -331.581724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.581724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.581724 (E_RNA)
where:
Base-Base interactions energy: -201.096
where: short stacking energy: -94.948
Base-Backbone interact. energy: 0.703
local terms energy: -131.188156
where:
bonds (distance) C4'-P energy: -33.608
bonds (distance) P-C4' energy: -32.663
flat angles C4'-P-C4' energy: -25.902
flat angles P-C4'-P energy: -23.136
tors. eta vs tors. theta energy: -15.879
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: 203
Temperature: 1.300000
Total energy: -165.787082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.787082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.787082 (E_RNA)
where:
Base-Base interactions energy: -56.985
where: short stacking energy: -54.181
Base-Backbone interact. energy: -0.930
local terms energy: -107.872319
where:
bonds (distance) C4'-P energy: -29.144
bonds (distance) P-C4' energy: -33.462
flat angles C4'-P-C4' energy: -29.498
flat angles P-C4'-P energy: -19.281
tors. eta vs tors. theta energy: 3.513
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: 10, replica: 3
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -160.294693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.294693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.294693 (E_RNA)
where:
Base-Base interactions energy: -46.983
where: short stacking energy: -46.747
Base-Backbone interact. energy: -0.136
local terms energy: -113.175866
where:
bonds (distance) C4'-P energy: -33.360
bonds (distance) P-C4' energy: -31.537
flat angles C4'-P-C4' energy: -24.054
flat angles P-C4'-P energy: -17.413
tors. eta vs tors. theta energy: -6.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -560.584393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.584393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.584393 (E_RNA)
where:
Base-Base interactions energy: -367.266
where: short stacking energy: -187.829
Base-Backbone interact. energy: 1.179
local terms energy: -194.497456
where:
bonds (distance) C4'-P energy: -29.552
bonds (distance) P-C4' energy: -39.350
flat angles C4'-P-C4' energy: -39.421
flat angles P-C4'-P energy: -31.033
tors. eta vs tors. theta energy: -55.141
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: 204
Temperature: 0.950000
Total energy: -533.153856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.153856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.153856 (E_RNA)
where:
Base-Base interactions energy: -366.517
where: short stacking energy: -150.092
Base-Backbone interact. energy: -0.896
local terms energy: -165.740782
where:
bonds (distance) C4'-P energy: -38.509
bonds (distance) P-C4' energy: -35.332
flat angles C4'-P-C4' energy: -33.335
flat angles P-C4'-P energy: -17.243
tors. eta vs tors. theta energy: -41.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -507.357590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.357590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.357590 (E_RNA)
where:
Base-Base interactions energy: -348.868
where: short stacking energy: -167.074
Base-Backbone interact. energy: -0.943
local terms energy: -157.547159
where:
bonds (distance) C4'-P energy: -28.976
bonds (distance) P-C4' energy: -32.336
flat angles C4'-P-C4' energy: -31.919
flat angles P-C4'-P energy: -23.779
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: 4
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -492.937019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.937019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.937019 (E_RNA)
where:
Base-Base interactions energy: -341.751
where: short stacking energy: -154.561
Base-Backbone interact. energy: 2.353
local terms energy: -153.539301
where:
bonds (distance) C4'-P energy: -33.637
bonds (distance) P-C4' energy: -29.916
flat angles C4'-P-C4' energy: -29.968
flat angles P-C4'-P energy: -17.759
tors. eta vs tors. theta energy: -42.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -455.297887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.297887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.297887 (E_RNA)
where:
Base-Base interactions energy: -304.245
where: short stacking energy: -142.870
Base-Backbone interact. energy: -2.189
local terms energy: -148.863489
where:
bonds (distance) C4'-P energy: -28.502
bonds (distance) P-C4' energy: -34.768
flat angles C4'-P-C4' energy: -36.995
flat angles P-C4'-P energy: -11.492
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: 6, replica: 8
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -359.073637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.073637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.073637 (E_RNA)
where:
Base-Base interactions energy: -231.547
where: short stacking energy: -102.744
Base-Backbone interact. energy: -0.454
local terms energy: -127.073232
where:
bonds (distance) C4'-P energy: -30.438
bonds (distance) P-C4' energy: -24.697
flat angles C4'-P-C4' energy: -31.711
flat angles P-C4'-P energy: -24.653
tors. eta vs tors. theta energy: -15.576
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: 1
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -339.929621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.929621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.929621 (E_RNA)
where:
Base-Base interactions energy: -215.558
where: short stacking energy: -106.244
Base-Backbone interact. energy: 0.443
local terms energy: -124.814682
where:
bonds (distance) C4'-P energy: -24.971
bonds (distance) P-C4' energy: -27.860
flat angles C4'-P-C4' energy: -39.375
flat angles P-C4'-P energy: -18.702
tors. eta vs tors. theta energy: -13.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -320.331390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.331390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.331390 (E_RNA)
where:
Base-Base interactions energy: -197.536
where: short stacking energy: -92.437
Base-Backbone interact. energy: -0.546
local terms energy: -122.250031
where:
bonds (distance) C4'-P energy: -31.138
bonds (distance) P-C4' energy: -30.329
flat angles C4'-P-C4' energy: -26.967
flat angles P-C4'-P energy: -16.216
tors. eta vs tors. theta energy: -17.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -177.861800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.861800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.861800 (E_RNA)
where:
Base-Base interactions energy: -74.598
where: short stacking energy: -73.502
Base-Backbone interact. energy: -0.570
local terms energy: -102.693369
where:
bonds (distance) C4'-P energy: -26.996
bonds (distance) P-C4' energy: -22.953
flat angles C4'-P-C4' energy: -24.145
flat angles P-C4'-P energy: -16.183
tors. eta vs tors. theta energy: -12.418
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: 7
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -161.448780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.448780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.448780 (E_RNA)
where:
Base-Base interactions energy: -55.856
where: short stacking energy: -50.553
Base-Backbone interact. energy: 0.893
local terms energy: -106.485567
where:
bonds (distance) C4'-P energy: -29.888
bonds (distance) P-C4' energy: -27.997
flat angles C4'-P-C4' energy: -30.424
flat angles P-C4'-P energy: -19.560
tors. eta vs tors. theta energy: 1.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -548.350699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.350699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.350699 (E_RNA)
where:
Base-Base interactions energy: -368.710
where: short stacking energy: -182.315
Base-Backbone interact. energy: -0.614
local terms energy: -179.025970
where:
bonds (distance) C4'-P energy: -30.863
bonds (distance) P-C4' energy: -30.204
flat angles C4'-P-C4' energy: -38.941
flat angles P-C4'-P energy: -26.290
tors. eta vs tors. theta energy: -52.728
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: 9
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -536.779724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.779724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.779724 (E_RNA)
where:
Base-Base interactions energy: -367.689
where: short stacking energy: -156.238
Base-Backbone interact. energy: -0.793
local terms energy: -168.297894
where:
bonds (distance) C4'-P energy: -37.479
bonds (distance) P-C4' energy: -30.312
flat angles C4'-P-C4' energy: -35.764
flat angles P-C4'-P energy: -22.684
tors. eta vs tors. theta energy: -42.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -484.524670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.524670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.524670 (E_RNA)
where:
Base-Base interactions energy: -319.743
where: short stacking energy: -146.649
Base-Backbone interact. energy: -0.326
local terms energy: -164.455603
where:
bonds (distance) C4'-P energy: -37.074
bonds (distance) P-C4' energy: -34.545
flat angles C4'-P-C4' energy: -36.937
flat angles P-C4'-P energy: -22.421
tors. eta vs tors. theta energy: -33.478
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: 4, replica: 4
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -505.088978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.088978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.088978 (E_RNA)
where:
Base-Base interactions energy: -340.777
where: short stacking energy: -152.727
Base-Backbone interact. energy: 0.096
local terms energy: -164.408006
where:
bonds (distance) C4'-P energy: -32.953
bonds (distance) P-C4' energy: -31.506
flat angles C4'-P-C4' energy: -36.909
flat angles P-C4'-P energy: -29.566
tors. eta vs tors. theta energy: -33.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -424.652514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.652514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.652514 (E_RNA)
where:
Base-Base interactions energy: -280.889
where: short stacking energy: -142.327
Base-Backbone interact. energy: -0.949
local terms energy: -142.814541
where:
bonds (distance) C4'-P energy: -25.916
bonds (distance) P-C4' energy: -34.692
flat angles C4'-P-C4' energy: -35.111
flat angles P-C4'-P energy: -9.967
tors. eta vs tors. theta energy: -37.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -351.707626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.707626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.707626 (E_RNA)
where:
Base-Base interactions energy: -216.485
where: short stacking energy: -106.759
Base-Backbone interact. energy: -0.222
local terms energy: -135.000858
where:
bonds (distance) C4'-P energy: -29.803
bonds (distance) P-C4' energy: -27.696
flat angles C4'-P-C4' energy: -32.064
flat angles P-C4'-P energy: -21.940
tors. eta vs tors. theta energy: -23.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -348.883317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.883317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.883317 (E_RNA)
where:
Base-Base interactions energy: -219.035
where: short stacking energy: -106.518
Base-Backbone interact. energy: -0.091
local terms energy: -129.757156
where:
bonds (distance) C4'-P energy: -24.860
bonds (distance) P-C4' energy: -30.402
flat angles C4'-P-C4' energy: -36.954
flat angles P-C4'-P energy: -17.726
tors. eta vs tors. theta energy: -19.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -305.806322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.806322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.806322 (E_RNA)
where:
Base-Base interactions energy: -189.046
where: short stacking energy: -98.787
Base-Backbone interact. energy: 1.130
local terms energy: -117.890535
where:
bonds (distance) C4'-P energy: -28.498
bonds (distance) P-C4' energy: -31.884
flat angles C4'-P-C4' energy: -17.497
flat angles P-C4'-P energy: -16.652
tors. eta vs tors. theta energy: -23.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -176.481640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.481640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.481640 (E_RNA)
where:
Base-Base interactions energy: -66.803
where: short stacking energy: -59.938
Base-Backbone interact. energy: -0.034
local terms energy: -109.645248
where:
bonds (distance) C4'-P energy: -31.788
bonds (distance) P-C4' energy: -30.645
flat angles C4'-P-C4' energy: -26.943
flat angles P-C4'-P energy: -20.007
tors. eta vs tors. theta energy: -0.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -154.843219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.843219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.843219 (E_RNA)
where:
Base-Base interactions energy: -53.406
where: short stacking energy: -52.505
Base-Backbone interact. energy: 1.619
local terms energy: -103.056281
where:
bonds (distance) C4'-P energy: -25.175
bonds (distance) P-C4' energy: -28.772
flat angles C4'-P-C4' energy: -29.166
flat angles P-C4'-P energy: -14.615
tors. eta vs tors. theta energy: -5.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -531.995272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.995272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.995272 (E_RNA)
where:
Base-Base interactions energy: -359.979
where: short stacking energy: -148.275
Base-Backbone interact. energy: -0.676
local terms energy: -171.340149
where:
bonds (distance) C4'-P energy: -35.328
bonds (distance) P-C4' energy: -30.964
flat angles C4'-P-C4' energy: -37.224
flat angles P-C4'-P energy: -33.268
tors. eta vs tors. theta energy: -34.556
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: 5
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -532.722867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.722867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.722867 (E_RNA)
where:
Base-Base interactions energy: -351.428
where: short stacking energy: -192.095
Base-Backbone interact. energy: -0.697
local terms energy: -180.598244
where:
bonds (distance) C4'-P energy: -36.124
bonds (distance) P-C4' energy: -34.559
flat angles C4'-P-C4' energy: -35.901
flat angles P-C4'-P energy: -24.107
tors. eta vs tors. theta energy: -49.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -518.974793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.974793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.974793 (E_RNA)
where:
Base-Base interactions energy: -333.457
where: short stacking energy: -162.229
Base-Backbone interact. energy: -0.176
local terms energy: -185.341238
where:
bonds (distance) C4'-P energy: -38.050
bonds (distance) P-C4' energy: -37.889
flat angles C4'-P-C4' energy: -40.551
flat angles P-C4'-P energy: -27.520
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: 4, replica: 4
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -499.711713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.711713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.711713 (E_RNA)
where:
Base-Base interactions energy: -342.563
where: short stacking energy: -159.461
Base-Backbone interact. energy: -0.598
local terms energy: -156.549907
where:
bonds (distance) C4'-P energy: -27.173
bonds (distance) P-C4' energy: -34.223
flat angles C4'-P-C4' energy: -38.433
flat angles P-C4'-P energy: -19.777
tors. eta vs tors. theta energy: -36.944
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: 206
Temperature: 1.100000
Total energy: -391.093755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.093755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.093755 (E_RNA)
where:
Base-Base interactions energy: -254.671
where: short stacking energy: -114.899
Base-Backbone interact. energy: -1.126
local terms energy: -135.297276
where:
bonds (distance) C4'-P energy: -27.948
bonds (distance) P-C4' energy: -33.057
flat angles C4'-P-C4' energy: -32.659
flat angles P-C4'-P energy: -20.620
tors. eta vs tors. theta energy: -21.014
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: 10
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -430.112113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.112113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.112113 (E_RNA)
where:
Base-Base interactions energy: -281.408
where: short stacking energy: -126.395
Base-Backbone interact. energy: -0.095
local terms energy: -148.609220
where:
bonds (distance) C4'-P energy: -29.621
bonds (distance) P-C4' energy: -35.880
flat angles C4'-P-C4' energy: -32.673
flat angles P-C4'-P energy: -23.266
tors. eta vs tors. theta energy: -27.170
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: 2
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -327.784467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.784467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.784467 (E_RNA)
where:
Base-Base interactions energy: -197.373
where: short stacking energy: -103.417
Base-Backbone interact. energy: -0.716
local terms energy: -129.694601
where:
bonds (distance) C4'-P energy: -28.142
bonds (distance) P-C4' energy: -29.257
flat angles C4'-P-C4' energy: -24.022
flat angles P-C4'-P energy: -21.037
tors. eta vs tors. theta energy: -27.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -304.223390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.223390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.223390 (E_RNA)
where:
Base-Base interactions energy: -179.584
where: short stacking energy: -100.216
Base-Backbone interact. energy: -0.463
local terms energy: -124.175886
where:
bonds (distance) C4'-P energy: -28.854
bonds (distance) P-C4' energy: -33.371
flat angles C4'-P-C4' energy: -25.738
flat angles P-C4'-P energy: -20.664
tors. eta vs tors. theta energy: -15.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -167.774284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.774284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.774284 (E_RNA)
where:
Base-Base interactions energy: -54.450
where: short stacking energy: -45.789
Base-Backbone interact. energy: 0.483
local terms energy: -113.806747
where:
bonds (distance) C4'-P energy: -34.572
bonds (distance) P-C4' energy: -31.438
flat angles C4'-P-C4' energy: -27.928
flat angles P-C4'-P energy: -19.618
tors. eta vs tors. theta energy: -0.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -157.207579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.207579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.207579 (E_RNA)
where:
Base-Base interactions energy: -69.213
where: short stacking energy: -66.704
Base-Backbone interact. energy: -0.393
local terms energy: -87.602120
where:
bonds (distance) C4'-P energy: -19.943
bonds (distance) P-C4' energy: -21.283
flat angles C4'-P-C4' energy: -26.620
flat angles P-C4'-P energy: -11.178
tors. eta vs tors. theta energy: -8.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -541.643341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.643341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.643341 (E_RNA)
where:
Base-Base interactions energy: -388.900
where: short stacking energy: -154.785
Base-Backbone interact. energy: 2.646
local terms energy: -155.389209
where:
bonds (distance) C4'-P energy: -32.911
bonds (distance) P-C4' energy: -24.115
flat angles C4'-P-C4' energy: -36.406
flat angles P-C4'-P energy: -27.467
tors. eta vs tors. theta energy: -34.490
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: 5
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -533.304557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.304557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.304557 (E_RNA)
where:
Base-Base interactions energy: -338.857
where: short stacking energy: -175.423
Base-Backbone interact. energy: -0.265
local terms energy: -194.183363
where:
bonds (distance) C4'-P energy: -36.717
bonds (distance) P-C4' energy: -36.565
flat angles C4'-P-C4' energy: -37.944
flat angles P-C4'-P energy: -31.551
tors. eta vs tors. theta energy: -51.406
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: 6
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -513.233761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.233761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.233761 (E_RNA)
where:
Base-Base interactions energy: -348.776
where: short stacking energy: -162.333
Base-Backbone interact. energy: -0.827
local terms energy: -163.630355
where:
bonds (distance) C4'-P energy: -28.970
bonds (distance) P-C4' energy: -32.240
flat angles C4'-P-C4' energy: -36.413
flat angles P-C4'-P energy: -23.806
tors. eta vs tors. theta energy: -42.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -498.280308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.280308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.280308 (E_RNA)
where:
Base-Base interactions energy: -342.115
where: short stacking energy: -151.110
Base-Backbone interact. energy: 0.454
local terms energy: -156.619357
where:
bonds (distance) C4'-P energy: -28.564
bonds (distance) P-C4' energy: -36.959
flat angles C4'-P-C4' energy: -25.772
flat angles P-C4'-P energy: -28.044
tors. eta vs tors. theta energy: -37.280
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: 8
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -420.070664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.070664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.070664 (E_RNA)
where:
Base-Base interactions energy: -268.878
where: short stacking energy: -130.966
Base-Backbone interact. energy: -0.071
local terms energy: -151.121284
where:
bonds (distance) C4'-P energy: -24.437
bonds (distance) P-C4' energy: -31.416
flat angles C4'-P-C4' energy: -34.555
flat angles P-C4'-P energy: -22.058
tors. eta vs tors. theta energy: -38.656
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: 6, replica: 10
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -441.670527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.670527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.670527 (E_RNA)
where:
Base-Base interactions energy: -302.131
where: short stacking energy: -139.731
Base-Backbone interact. energy: 4.301
local terms energy: -143.840822
where:
bonds (distance) C4'-P energy: -30.080
bonds (distance) P-C4' energy: -25.713
flat angles C4'-P-C4' energy: -34.468
flat angles P-C4'-P energy: -15.556
tors. eta vs tors. theta energy: -38.024
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: 2
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -332.611962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.611962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.611962 (E_RNA)
where:
Base-Base interactions energy: -200.988
where: short stacking energy: -87.601
Base-Backbone interact. energy: -0.249
local terms energy: -131.375415
where:
bonds (distance) C4'-P energy: -31.959
bonds (distance) P-C4' energy: -28.720
flat angles C4'-P-C4' energy: -31.658
flat angles P-C4'-P energy: -25.551
tors. eta vs tors. theta energy: -13.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -299.990817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.990817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.990817 (E_RNA)
where:
Base-Base interactions energy: -177.046
where: short stacking energy: -78.376
Base-Backbone interact. energy: -0.464
local terms energy: -122.480548
where:
bonds (distance) C4'-P energy: -33.029
bonds (distance) P-C4' energy: -30.736
flat angles C4'-P-C4' energy: -31.527
flat angles P-C4'-P energy: -17.442
tors. eta vs tors. theta energy: -9.746
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: 3
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -168.929885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.929885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.929885 (E_RNA)
where:
Base-Base interactions energy: -66.943
where: short stacking energy: -59.245
Base-Backbone interact. energy: -1.428
local terms energy: -100.559369
where:
bonds (distance) C4'-P energy: -33.257
bonds (distance) P-C4' energy: -29.367
flat angles C4'-P-C4' energy: -23.724
flat angles P-C4'-P energy: -8.428
tors. eta vs tors. theta energy: -5.784
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: 7
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -147.851738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.851738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.851738 (E_RNA)
where:
Base-Base interactions energy: -52.325
where: short stacking energy: -49.116
Base-Backbone interact. energy: -0.788
local terms energy: -94.738803
where:
bonds (distance) C4'-P energy: -22.996
bonds (distance) P-C4' energy: -30.297
flat angles C4'-P-C4' energy: -32.647
flat angles P-C4'-P energy: -14.050
tors. eta vs tors. theta energy: 5.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -548.726881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.726881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.726881 (E_RNA)
where:
Base-Base interactions energy: -356.297
where: short stacking energy: -181.637
Base-Backbone interact. energy: -0.164
local terms energy: -192.265952
where:
bonds (distance) C4'-P energy: -34.750
bonds (distance) P-C4' energy: -35.391
flat angles C4'-P-C4' energy: -38.921
flat angles P-C4'-P energy: -30.997
tors. eta vs tors. theta energy: -52.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -527.934564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.934564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.934564 (E_RNA)
where:
Base-Base interactions energy: -344.289
where: short stacking energy: -157.464
Base-Backbone interact. energy: -0.521
local terms energy: -183.124688
where:
bonds (distance) C4'-P energy: -32.874
bonds (distance) P-C4' energy: -38.754
flat angles C4'-P-C4' energy: -39.147
flat angles P-C4'-P energy: -27.765
tors. eta vs tors. theta energy: -44.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -511.996523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.996523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.996523 (E_RNA)
where:
Base-Base interactions energy: -340.382
where: short stacking energy: -147.246
Base-Backbone interact. energy: -0.470
local terms energy: -171.144843
where:
bonds (distance) C4'-P energy: -38.178
bonds (distance) P-C4' energy: -38.301
flat angles C4'-P-C4' energy: -36.693
flat angles P-C4'-P energy: -25.448
tors. eta vs tors. theta energy: -32.525
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: 4
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -500.473163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.473163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.473163 (E_RNA)
where:
Base-Base interactions energy: -345.042
where: short stacking energy: -163.157
Base-Backbone interact. energy: 0.558
local terms energy: -155.989037
where:
bonds (distance) C4'-P energy: -23.477
bonds (distance) P-C4' energy: -35.891
flat angles C4'-P-C4' energy: -35.900
flat angles P-C4'-P energy: -21.262
tors. eta vs tors. theta energy: -39.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -436.000628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.000628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.000628 (E_RNA)
where:
Base-Base interactions energy: -294.318
where: short stacking energy: -123.774
Base-Backbone interact. energy: -1.210
local terms energy: -140.473065
where:
bonds (distance) C4'-P energy: -31.307
bonds (distance) P-C4' energy: -33.324
flat angles C4'-P-C4' energy: -28.874
flat angles P-C4'-P energy: -14.177
tors. eta vs tors. theta energy: -32.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -382.465375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.465375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.465375 (E_RNA)
where:
Base-Base interactions energy: -248.501
where: short stacking energy: -106.472
Base-Backbone interact. energy: -0.817
local terms energy: -133.147082
where:
bonds (distance) C4'-P energy: -32.658
bonds (distance) P-C4' energy: -33.855
flat angles C4'-P-C4' energy: -32.143
flat angles P-C4'-P energy: -15.977
tors. eta vs tors. theta energy: -18.515
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: 2
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -316.539914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.539914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.539914 (E_RNA)
where:
Base-Base interactions energy: -187.302
where: short stacking energy: -92.309
Base-Backbone interact. energy: -0.449
local terms energy: -128.788402
where:
bonds (distance) C4'-P energy: -32.220
bonds (distance) P-C4' energy: -32.759
flat angles C4'-P-C4' energy: -33.498
flat angles P-C4'-P energy: -11.633
tors. eta vs tors. theta energy: -18.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -324.220188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.220188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.220188 (E_RNA)
where:
Base-Base interactions energy: -210.421
where: short stacking energy: -114.090
Base-Backbone interact. energy: -0.686
local terms energy: -113.113996
where:
bonds (distance) C4'-P energy: -22.875
bonds (distance) P-C4' energy: -29.645
flat angles C4'-P-C4' energy: -28.205
flat angles P-C4'-P energy: -21.538
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: 9, replica: 7
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -163.822482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.822482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.822482 (E_RNA)
where:
Base-Base interactions energy: -56.585
where: short stacking energy: -47.997
Base-Backbone interact. energy: -0.551
local terms energy: -106.686485
where:
bonds (distance) C4'-P energy: -33.697
bonds (distance) P-C4' energy: -35.789
flat angles C4'-P-C4' energy: -29.522
flat angles P-C4'-P energy: -10.812
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: 10, replica: 3
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -184.822691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.822691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.822691 (E_RNA)
where:
Base-Base interactions energy: -81.737
where: short stacking energy: -43.593
Base-Backbone interact. energy: 0.755
local terms energy: -103.840403
where:
bonds (distance) C4'-P energy: -26.377
bonds (distance) P-C4' energy: -32.703
flat angles C4'-P-C4' energy: -28.010
flat angles P-C4'-P energy: -16.025
tors. eta vs tors. theta energy: -0.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -549.056285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.056285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.056285 (E_RNA)
where:
Base-Base interactions energy: -359.517
where: short stacking energy: -190.222
Base-Backbone interact. energy: -0.201
local terms energy: -189.338416
where:
bonds (distance) C4'-P energy: -33.560
bonds (distance) P-C4' energy: -35.318
flat angles C4'-P-C4' energy: -37.194
flat angles P-C4'-P energy: -27.025
tors. eta vs tors. theta energy: -56.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -521.814544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.814544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.814544 (E_RNA)
where:
Base-Base interactions energy: -351.443
where: short stacking energy: -152.879
Base-Backbone interact. energy: -0.864
local terms energy: -169.507160
where:
bonds (distance) C4'-P energy: -34.474
bonds (distance) P-C4' energy: -28.814
flat angles C4'-P-C4' energy: -40.798
flat angles P-C4'-P energy: -27.669
tors. eta vs tors. theta energy: -37.752
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: 9
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -516.495878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.495878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.495878 (E_RNA)
where:
Base-Base interactions energy: -359.935
where: short stacking energy: -144.944
Base-Backbone interact. energy: -1.139
local terms energy: -155.422023
where:
bonds (distance) C4'-P energy: -26.098
bonds (distance) P-C4' energy: -35.589
flat angles C4'-P-C4' energy: -36.689
flat angles P-C4'-P energy: -26.893
tors. eta vs tors. theta energy: -30.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -474.922046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.922046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.922046 (E_RNA)
where:
Base-Base interactions energy: -321.091
where: short stacking energy: -135.758
Base-Backbone interact. energy: -0.724
local terms energy: -153.107193
where:
bonds (distance) C4'-P energy: -31.829
bonds (distance) P-C4' energy: -38.373
flat angles C4'-P-C4' energy: -33.464
flat angles P-C4'-P energy: -17.786
tors. eta vs tors. theta energy: -31.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -479.897468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.897468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.897468 (E_RNA)
where:
Base-Base interactions energy: -318.691
where: short stacking energy: -146.363
Base-Backbone interact. energy: -0.694
local terms energy: -160.512208
where:
bonds (distance) C4'-P energy: -34.744
bonds (distance) P-C4' energy: -34.335
flat angles C4'-P-C4' energy: -35.801
flat angles P-C4'-P energy: -25.074
tors. eta vs tors. theta energy: -30.559
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: 8
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -360.917711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.917711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.917711 (E_RNA)
where:
Base-Base interactions energy: -239.629
where: short stacking energy: -110.537
Base-Backbone interact. energy: -1.576
local terms energy: -119.712888
where:
bonds (distance) C4'-P energy: -28.573
bonds (distance) P-C4' energy: -27.615
flat angles C4'-P-C4' energy: -30.471
flat angles P-C4'-P energy: -13.416
tors. eta vs tors. theta energy: -19.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -345.698912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.698912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.698912 (E_RNA)
where:
Base-Base interactions energy: -213.950
where: short stacking energy: -99.037
Base-Backbone interact. energy: -0.379
local terms energy: -131.369374
where:
bonds (distance) C4'-P energy: -29.861
bonds (distance) P-C4' energy: -39.792
flat angles C4'-P-C4' energy: -23.365
flat angles P-C4'-P energy: -16.056
tors. eta vs tors. theta energy: -22.295
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: 1
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -330.939221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.939221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.939221 (E_RNA)
where:
Base-Base interactions energy: -195.743
where: short stacking energy: -95.696
Base-Backbone interact. energy: -0.655
local terms energy: -134.541620
where:
bonds (distance) C4'-P energy: -31.752
bonds (distance) P-C4' energy: -37.303
flat angles C4'-P-C4' energy: -32.202
flat angles P-C4'-P energy: -17.734
tors. eta vs tors. theta energy: -15.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -156.964976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.964976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.964976 (E_RNA)
where:
Base-Base interactions energy: -63.530
where: short stacking energy: -63.030
Base-Backbone interact. energy: -0.625
local terms energy: -92.809703
where:
bonds (distance) C4'-P energy: -26.855
bonds (distance) P-C4' energy: -26.250
flat angles C4'-P-C4' energy: -26.818
flat angles P-C4'-P energy: -7.767
tors. eta vs tors. theta energy: -5.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -164.293242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.293242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.293242 (E_RNA)
where:
Base-Base interactions energy: -65.443
where: short stacking energy: -64.821
Base-Backbone interact. energy: 0.788
local terms energy: -99.638390
where:
bonds (distance) C4'-P energy: -29.927
bonds (distance) P-C4' energy: -26.137
flat angles C4'-P-C4' energy: -23.580
flat angles P-C4'-P energy: -11.676
tors. eta vs tors. theta energy: -8.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -558.048280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.048280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.048280 (E_RNA)
where:
Base-Base interactions energy: -367.133
where: short stacking energy: -183.790
Base-Backbone interact. energy: -0.670
local terms energy: -190.245843
where:
bonds (distance) C4'-P energy: -36.089
bonds (distance) P-C4' energy: -35.115
flat angles C4'-P-C4' energy: -41.472
flat angles P-C4'-P energy: -23.885
tors. eta vs tors. theta energy: -53.685
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: 6
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -525.671944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.671944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.671944 (E_RNA)
where:
Base-Base interactions energy: -344.065
where: short stacking energy: -156.683
Base-Backbone interact. energy: 0.599
local terms energy: -182.205614
where:
bonds (distance) C4'-P energy: -35.479
bonds (distance) P-C4' energy: -39.181
flat angles C4'-P-C4' energy: -36.567
flat angles P-C4'-P energy: -30.074
tors. eta vs tors. theta energy: -40.904
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: 10
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -496.593284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.593284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.593284 (E_RNA)
where:
Base-Base interactions energy: -333.563
where: short stacking energy: -156.198
Base-Backbone interact. energy: -0.081
local terms energy: -162.949315
where:
bonds (distance) C4'-P energy: -23.610
bonds (distance) P-C4' energy: -35.576
flat angles C4'-P-C4' energy: -41.222
flat angles P-C4'-P energy: -24.249
tors. eta vs tors. theta energy: -38.291
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: 9
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -497.494490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.494490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.494490 (E_RNA)
where:
Base-Base interactions energy: -325.833
where: short stacking energy: -149.998
Base-Backbone interact. energy: 0.159
local terms energy: -171.820071
where:
bonds (distance) C4'-P energy: -26.258
bonds (distance) P-C4' energy: -38.771
flat angles C4'-P-C4' energy: -37.166
flat angles P-C4'-P energy: -24.278
tors. eta vs tors. theta energy: -45.347
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: 5, replica: 4
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -445.804020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.804020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.804020 (E_RNA)
where:
Base-Base interactions energy: -302.800
where: short stacking energy: -133.725
Base-Backbone interact. energy: -0.426
local terms energy: -142.578783
where:
bonds (distance) C4'-P energy: -33.092
bonds (distance) P-C4' energy: -33.491
flat angles C4'-P-C4' energy: -26.355
flat angles P-C4'-P energy: -20.973
tors. eta vs tors. theta energy: -28.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -377.241869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.241869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.241869 (E_RNA)
where:
Base-Base interactions energy: -242.106
where: short stacking energy: -120.025
Base-Backbone interact. energy: -2.198
local terms energy: -132.938010
where:
bonds (distance) C4'-P energy: -29.687
bonds (distance) P-C4' energy: -22.271
flat angles C4'-P-C4' energy: -35.642
flat angles P-C4'-P energy: -22.624
tors. eta vs tors. theta energy: -22.714
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: 1
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -320.101140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.101140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.101140 (E_RNA)
where:
Base-Base interactions energy: -194.271
where: short stacking energy: -104.252
Base-Backbone interact. energy: -0.717
local terms energy: -125.112838
where:
bonds (distance) C4'-P energy: -26.269
bonds (distance) P-C4' energy: -30.003
flat angles C4'-P-C4' energy: -37.172
flat angles P-C4'-P energy: -15.609
tors. eta vs tors. theta energy: -16.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -308.470706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.470706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.470706 (E_RNA)
where:
Base-Base interactions energy: -195.581
where: short stacking energy: -98.873
Base-Backbone interact. energy: -0.488
local terms energy: -112.401473
where:
bonds (distance) C4'-P energy: -27.193
bonds (distance) P-C4' energy: -30.167
flat angles C4'-P-C4' energy: -16.677
flat angles P-C4'-P energy: -22.256
tors. eta vs tors. theta energy: -16.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -190.880799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.880799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.880799 (E_RNA)
where:
Base-Base interactions energy: -74.005
where: short stacking energy: -48.857
Base-Backbone interact. energy: 0.440
local terms energy: -117.316136
where:
bonds (distance) C4'-P energy: -29.956
bonds (distance) P-C4' energy: -25.632
flat angles C4'-P-C4' energy: -33.864
flat angles P-C4'-P energy: -21.543
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: 210
Temperature: 1.350000
Total energy: -158.688698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.688698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.688698 (E_RNA)
where:
Base-Base interactions energy: -49.835
where: short stacking energy: -48.910
Base-Backbone interact. energy: 4.125
local terms energy: -112.978817
where:
bonds (distance) C4'-P energy: -38.921
bonds (distance) P-C4' energy: -32.974
flat angles C4'-P-C4' energy: -25.336
flat angles P-C4'-P energy: -13.706
tors. eta vs tors. theta energy: -2.043
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: 5
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -562.964898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.964898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.964898 (E_RNA)
where:
Base-Base interactions energy: -371.839
where: short stacking energy: -186.251
Base-Backbone interact. energy: -0.568
local terms energy: -190.557765
where:
bonds (distance) C4'-P energy: -36.774
bonds (distance) P-C4' energy: -34.549
flat angles C4'-P-C4' energy: -39.227
flat angles P-C4'-P energy: -26.222
tors. eta vs tors. theta energy: -53.786
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: 6
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -521.598183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.598183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.598183 (E_RNA)
where:
Base-Base interactions energy: -353.905
where: short stacking energy: -169.205
Base-Backbone interact. energy: -0.457
local terms energy: -167.236336
where:
bonds (distance) C4'-P energy: -25.400
bonds (distance) P-C4' energy: -32.001
flat angles C4'-P-C4' energy: -36.982
flat angles P-C4'-P energy: -30.037
tors. eta vs tors. theta energy: -42.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -502.683242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.683242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.683242 (E_RNA)
where:
Base-Base interactions energy: -336.649
where: short stacking energy: -169.519
Base-Backbone interact. energy: -0.807
local terms energy: -165.226992
where:
bonds (distance) C4'-P energy: -31.570
bonds (distance) P-C4' energy: -35.882
flat angles C4'-P-C4' energy: -29.572
flat angles P-C4'-P energy: -23.088
tors. eta vs tors. theta energy: -45.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -495.205379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.205379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.205379 (E_RNA)
where:
Base-Base interactions energy: -329.448
where: short stacking energy: -151.809
Base-Backbone interact. energy: -0.812
local terms energy: -164.944799
where:
bonds (distance) C4'-P energy: -34.597
bonds (distance) P-C4' energy: -41.043
flat angles C4'-P-C4' energy: -34.697
flat angles P-C4'-P energy: -18.311
tors. eta vs tors. theta energy: -36.297
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: 4
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -473.969224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.969224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.969224 (E_RNA)
where:
Base-Base interactions energy: -310.556
where: short stacking energy: -145.354
Base-Backbone interact. energy: -0.151
local terms energy: -163.262607
where:
bonds (distance) C4'-P energy: -34.083
bonds (distance) P-C4' energy: -37.825
flat angles C4'-P-C4' energy: -37.041
flat angles P-C4'-P energy: -19.155
tors. eta vs tors. theta energy: -35.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -349.340012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.340012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.340012 (E_RNA)
where:
Base-Base interactions energy: -213.102
where: short stacking energy: -105.248
Base-Backbone interact. energy: -1.799
local terms energy: -134.439275
where:
bonds (distance) C4'-P energy: -25.016
bonds (distance) P-C4' energy: -29.789
flat angles C4'-P-C4' energy: -32.642
flat angles P-C4'-P energy: -26.302
tors. eta vs tors. theta energy: -20.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -334.592895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.592895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.592895 (E_RNA)
where:
Base-Base interactions energy: -206.414
where: short stacking energy: -114.939
Base-Backbone interact. energy: -1.172
local terms energy: -127.006490
where:
bonds (distance) C4'-P energy: -26.835
bonds (distance) P-C4' energy: -27.245
flat angles C4'-P-C4' energy: -32.565
flat angles P-C4'-P energy: -20.413
tors. eta vs tors. theta energy: -19.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -319.110079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.110079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.110079 (E_RNA)
where:
Base-Base interactions energy: -193.200
where: short stacking energy: -92.559
Base-Backbone interact. energy: 0.426
local terms energy: -126.336266
where:
bonds (distance) C4'-P energy: -26.573
bonds (distance) P-C4' energy: -28.344
flat angles C4'-P-C4' energy: -32.088
flat angles P-C4'-P energy: -23.157
tors. eta vs tors. theta energy: -16.175
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: 9, replica: 3
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -184.117327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.117327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.117327 (E_RNA)
where:
Base-Base interactions energy: -59.125
where: short stacking energy: -52.694
Base-Backbone interact. energy: 1.170
local terms energy: -126.162229
where:
bonds (distance) C4'-P energy: -39.622
bonds (distance) P-C4' energy: -25.091
flat angles C4'-P-C4' energy: -33.003
flat angles P-C4'-P energy: -17.293
tors. eta vs tors. theta energy: -11.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -163.998281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.998281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.998281 (E_RNA)
where:
Base-Base interactions energy: -67.151
where: short stacking energy: -57.727
Base-Backbone interact. energy: 0.381
local terms energy: -97.228038
where:
bonds (distance) C4'-P energy: -27.766
bonds (distance) P-C4' energy: -31.151
flat angles C4'-P-C4' energy: -20.602
flat angles P-C4'-P energy: -10.808
tors. eta vs tors. theta energy: -6.901
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: 5
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -558.137931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.137931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.137931 (E_RNA)
where:
Base-Base interactions energy: -370.042
where: short stacking energy: -183.831
Base-Backbone interact. energy: -0.045
local terms energy: -188.050731
where:
bonds (distance) C4'-P energy: -35.511
bonds (distance) P-C4' energy: -34.635
flat angles C4'-P-C4' energy: -37.258
flat angles P-C4'-P energy: -24.926
tors. eta vs tors. theta energy: -55.721
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: 6
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -531.935009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.935009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.935009 (E_RNA)
where:
Base-Base interactions energy: -355.084
where: short stacking energy: -162.445
Base-Backbone interact. energy: -0.397
local terms energy: -176.454033
where:
bonds (distance) C4'-P energy: -32.109
bonds (distance) P-C4' energy: -32.679
flat angles C4'-P-C4' energy: -38.053
flat angles P-C4'-P energy: -25.870
tors. eta vs tors. theta energy: -47.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -509.883488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.883488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.883488 (E_RNA)
where:
Base-Base interactions energy: -336.710
where: short stacking energy: -169.500
Base-Backbone interact. energy: -0.815
local terms energy: -172.358815
where:
bonds (distance) C4'-P energy: -35.366
bonds (distance) P-C4' energy: -33.794
flat angles C4'-P-C4' energy: -36.275
flat angles P-C4'-P energy: -24.670
tors. eta vs tors. theta energy: -42.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -498.303543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.303543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.303543 (E_RNA)
where:
Base-Base interactions energy: -335.803
where: short stacking energy: -160.244
Base-Backbone interact. energy: -0.607
local terms energy: -161.893582
where:
bonds (distance) C4'-P energy: -27.456
bonds (distance) P-C4' energy: -37.040
flat angles C4'-P-C4' energy: -31.995
flat angles P-C4'-P energy: -27.963
tors. eta vs tors. theta energy: -37.439
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: 4
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -480.874898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.874898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.874898 (E_RNA)
where:
Base-Base interactions energy: -330.620
where: short stacking energy: -154.695
Base-Backbone interact. energy: -0.464
local terms energy: -149.790471
where:
bonds (distance) C4'-P energy: -28.271
bonds (distance) P-C4' energy: -34.460
flat angles C4'-P-C4' energy: -35.655
flat angles P-C4'-P energy: -18.710
tors. eta vs tors. theta energy: -32.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -369.074201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.074201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.074201 (E_RNA)
where:
Base-Base interactions energy: -224.500
where: short stacking energy: -110.017
Base-Backbone interact. energy: -0.048
local terms energy: -144.526056
where:
bonds (distance) C4'-P energy: -23.757
bonds (distance) P-C4' energy: -35.791
flat angles C4'-P-C4' energy: -33.059
flat angles P-C4'-P energy: -20.358
tors. eta vs tors. theta energy: -31.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -314.815607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.815607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.815607 (E_RNA)
where:
Base-Base interactions energy: -200.203
where: short stacking energy: -95.649
Base-Backbone interact. energy: 3.407
local terms energy: -118.019344
where:
bonds (distance) C4'-P energy: -33.302
bonds (distance) P-C4' energy: -31.391
flat angles C4'-P-C4' energy: -20.044
flat angles P-C4'-P energy: -16.350
tors. eta vs tors. theta energy: -16.932
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: 2
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -298.496008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.496008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.496008 (E_RNA)
where:
Base-Base interactions energy: -179.819
where: short stacking energy: -86.036
Base-Backbone interact. energy: 0.235
local terms energy: -118.912193
where:
bonds (distance) C4'-P energy: -22.517
bonds (distance) P-C4' energy: -37.552
flat angles C4'-P-C4' energy: -24.154
flat angles P-C4'-P energy: -21.864
tors. eta vs tors. theta energy: -12.825
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: 9, replica: 7
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -164.963047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.963047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.963047 (E_RNA)
where:
Base-Base interactions energy: -57.098
where: short stacking energy: -56.698
Base-Backbone interact. energy: -0.360
local terms energy: -107.504613
where:
bonds (distance) C4'-P energy: -29.715
bonds (distance) P-C4' energy: -30.714
flat angles C4'-P-C4' energy: -30.609
flat angles P-C4'-P energy: -11.353
tors. eta vs tors. theta energy: -5.114
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: 10, replica: 3
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -161.844754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.844754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.844754 (E_RNA)
where:
Base-Base interactions energy: -57.889
where: short stacking energy: -47.016
Base-Backbone interact. energy: 0.840
local terms energy: -104.795046
where:
bonds (distance) C4'-P energy: -27.671
bonds (distance) P-C4' energy: -34.891
flat angles C4'-P-C4' energy: -32.665
flat angles P-C4'-P energy: -13.681
tors. eta vs tors. theta energy: 4.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -553.278349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.278349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.278349 (E_RNA)
where:
Base-Base interactions energy: -360.808
where: short stacking energy: -186.533
Base-Backbone interact. energy: 1.238
local terms energy: -193.708814
where:
bonds (distance) C4'-P energy: -38.394
bonds (distance) P-C4' energy: -38.901
flat angles C4'-P-C4' energy: -38.783
flat angles P-C4'-P energy: -28.235
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: 2, replica: 6
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -536.596258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.596258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.596258 (E_RNA)
where:
Base-Base interactions energy: -365.395
where: short stacking energy: -165.014
Base-Backbone interact. energy: -0.654
local terms energy: -170.546794
where:
bonds (distance) C4'-P energy: -30.437
bonds (distance) P-C4' energy: -33.823
flat angles C4'-P-C4' energy: -38.535
flat angles P-C4'-P energy: -24.096
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: 10
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -482.172522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.172522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.172522 (E_RNA)
where:
Base-Base interactions energy: -318.598
where: short stacking energy: -151.689
Base-Backbone interact. energy: -0.331
local terms energy: -163.242763
where:
bonds (distance) C4'-P energy: -34.096
bonds (distance) P-C4' energy: -35.955
flat angles C4'-P-C4' energy: -36.058
flat angles P-C4'-P energy: -18.891
tors. eta vs tors. theta energy: -38.243
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: 4
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -475.107270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.107270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.107270 (E_RNA)
where:
Base-Base interactions energy: -329.080
where: short stacking energy: -151.711
Base-Backbone interact. energy: -0.383
local terms energy: -145.644799
where:
bonds (distance) C4'-P energy: -35.152
bonds (distance) P-C4' energy: -33.299
flat angles C4'-P-C4' energy: -27.789
flat angles P-C4'-P energy: -20.911
tors. eta vs tors. theta energy: -28.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -472.472599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.472599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.472599 (E_RNA)
where:
Base-Base interactions energy: -323.132
where: short stacking energy: -150.393
Base-Backbone interact. energy: -0.793
local terms energy: -148.547410
where:
bonds (distance) C4'-P energy: -30.544
bonds (distance) P-C4' energy: -26.275
flat angles C4'-P-C4' energy: -35.972
flat angles P-C4'-P energy: -21.577
tors. eta vs tors. theta energy: -34.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -383.771146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.771146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.771146 (E_RNA)
where:
Base-Base interactions energy: -238.869
where: short stacking energy: -115.508
Base-Backbone interact. energy: -0.531
local terms energy: -144.370413
where:
bonds (distance) C4'-P energy: -29.464
bonds (distance) P-C4' energy: -36.986
flat angles C4'-P-C4' energy: -30.455
flat angles P-C4'-P energy: -20.109
tors. eta vs tors. theta energy: -27.356
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: 1
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -368.706385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.706385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.706385 (E_RNA)
where:
Base-Base interactions energy: -226.099
where: short stacking energy: -108.344
Base-Backbone interact. energy: -0.639
local terms energy: -141.968357
where:
bonds (distance) C4'-P energy: -30.839
bonds (distance) P-C4' energy: -32.576
flat angles C4'-P-C4' energy: -37.711
flat angles P-C4'-P energy: -17.789
tors. eta vs tors. theta energy: -23.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -319.938983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.938983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.938983 (E_RNA)
where:
Base-Base interactions energy: -178.999
where: short stacking energy: -83.211
Base-Backbone interact. energy: -0.885
local terms energy: -140.055176
where:
bonds (distance) C4'-P energy: -38.762
bonds (distance) P-C4' energy: -28.476
flat angles C4'-P-C4' energy: -32.494
flat angles P-C4'-P energy: -17.260
tors. eta vs tors. theta energy: -23.063
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: 7
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -170.889082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.889082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.889082 (E_RNA)
where:
Base-Base interactions energy: -64.617
where: short stacking energy: -59.991
Base-Backbone interact. energy: 3.511
local terms energy: -109.783290
where:
bonds (distance) C4'-P energy: -28.765
bonds (distance) P-C4' energy: -27.442
flat angles C4'-P-C4' energy: -25.278
flat angles P-C4'-P energy: -19.712
tors. eta vs tors. theta energy: -8.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -171.896237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.896237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.896237 (E_RNA)
where:
Base-Base interactions energy: -70.927
where: short stacking energy: -70.307
Base-Backbone interact. energy: -0.270
local terms energy: -100.698904
where:
bonds (distance) C4'-P energy: -32.065
bonds (distance) P-C4' energy: -21.288
flat angles C4'-P-C4' energy: -30.885
flat angles P-C4'-P energy: -15.151
tors. eta vs tors. theta energy: -1.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -549.649481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.649481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.649481 (E_RNA)
where:
Base-Base interactions energy: -356.726
where: short stacking energy: -178.345
Base-Backbone interact. energy: -0.091
local terms energy: -192.832198
where:
bonds (distance) C4'-P energy: -32.446
bonds (distance) P-C4' energy: -40.879
flat angles C4'-P-C4' energy: -39.557
flat angles P-C4'-P energy: -28.754
tors. eta vs tors. theta energy: -51.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -529.318365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.318365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.318365 (E_RNA)
where:
Base-Base interactions energy: -361.416
where: short stacking energy: -176.380
Base-Backbone interact. energy: -0.869
local terms energy: -167.032911
where:
bonds (distance) C4'-P energy: -29.709
bonds (distance) P-C4' energy: -30.929
flat angles C4'-P-C4' energy: -36.529
flat angles P-C4'-P energy: -27.786
tors. eta vs tors. theta energy: -42.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -499.068718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.068718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.068718 (E_RNA)
where:
Base-Base interactions energy: -335.135
where: short stacking energy: -156.785
Base-Backbone interact. energy: 1.436
local terms energy: -165.370218
where:
bonds (distance) C4'-P energy: -32.357
bonds (distance) P-C4' energy: -37.098
flat angles C4'-P-C4' energy: -30.104
flat angles P-C4'-P energy: -28.505
tors. eta vs tors. theta energy: -37.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -466.126742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.126742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.126742 (E_RNA)
where:
Base-Base interactions energy: -314.459
where: short stacking energy: -147.211
Base-Backbone interact. energy: -1.227
local terms energy: -150.440964
where:
bonds (distance) C4'-P energy: -29.426
bonds (distance) P-C4' energy: -29.033
flat angles C4'-P-C4' energy: -38.312
flat angles P-C4'-P energy: -21.012
tors. eta vs tors. theta energy: -32.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -465.729133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.729133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.729133 (E_RNA)
where:
Base-Base interactions energy: -307.401
where: short stacking energy: -140.014
Base-Backbone interact. energy: -1.130
local terms energy: -157.197895
where:
bonds (distance) C4'-P energy: -31.835
bonds (distance) P-C4' energy: -34.278
flat angles C4'-P-C4' energy: -29.464
flat angles P-C4'-P energy: -22.619
tors. eta vs tors. theta energy: -39.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -354.867324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.867324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.867324 (E_RNA)
where:
Base-Base interactions energy: -218.480
where: short stacking energy: -127.090
Base-Backbone interact. energy: -0.299
local terms energy: -136.088009
where:
bonds (distance) C4'-P energy: -30.512
bonds (distance) P-C4' energy: -28.381
flat angles C4'-P-C4' energy: -34.530
flat angles P-C4'-P energy: -17.227
tors. eta vs tors. theta energy: -25.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -343.136949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.136949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.136949 (E_RNA)
where:
Base-Base interactions energy: -210.632
where: short stacking energy: -100.239
Base-Backbone interact. energy: -0.275
local terms energy: -132.230289
where:
bonds (distance) C4'-P energy: -28.333
bonds (distance) P-C4' energy: -39.657
flat angles C4'-P-C4' energy: -30.871
flat angles P-C4'-P energy: -18.232
tors. eta vs tors. theta energy: -15.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -338.123280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.123280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.123280 (E_RNA)
where:
Base-Base interactions energy: -204.956
where: short stacking energy: -97.712
Base-Backbone interact. energy: -0.723
local terms energy: -132.444003
where:
bonds (distance) C4'-P energy: -27.424
bonds (distance) P-C4' energy: -29.963
flat angles C4'-P-C4' energy: -27.967
flat angles P-C4'-P energy: -29.422
tors. eta vs tors. theta energy: -17.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -181.134201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.134201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.134201 (E_RNA)
where:
Base-Base interactions energy: -74.282
where: short stacking energy: -69.434
Base-Backbone interact. energy: -0.010
local terms energy: -106.842854
where:
bonds (distance) C4'-P energy: -31.400
bonds (distance) P-C4' energy: -28.848
flat angles C4'-P-C4' energy: -25.783
flat angles P-C4'-P energy: -16.052
tors. eta vs tors. theta energy: -4.760
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: 214
Temperature: 1.350000
Total energy: -178.220432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.220432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.220432 (E_RNA)
where:
Base-Base interactions energy: -76.114
where: short stacking energy: -61.089
Base-Backbone interact. energy: 1.378
local terms energy: -103.484800
where:
bonds (distance) C4'-P energy: -28.612
bonds (distance) P-C4' energy: -30.544
flat angles C4'-P-C4' energy: -26.441
flat angles P-C4'-P energy: -11.488
tors. eta vs tors. theta energy: -6.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -554.520570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.520570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.520570 (E_RNA)
where:
Base-Base interactions energy: -360.307
where: short stacking energy: -179.466
Base-Backbone interact. energy: -0.123
local terms energy: -194.090237
where:
bonds (distance) C4'-P energy: -37.777
bonds (distance) P-C4' energy: -41.771
flat angles C4'-P-C4' energy: -35.283
flat angles P-C4'-P energy: -29.035
tors. eta vs tors. theta energy: -50.224
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: 10
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -505.411995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.411995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.411995 (E_RNA)
where:
Base-Base interactions energy: -342.213
where: short stacking energy: -147.750
Base-Backbone interact. energy: -2.928
local terms energy: -160.271948
where:
bonds (distance) C4'-P energy: -35.718
bonds (distance) P-C4' energy: -31.940
flat angles C4'-P-C4' energy: -37.656
flat angles P-C4'-P energy: -17.895
tors. eta vs tors. theta energy: -37.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -500.765076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.765076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.765076 (E_RNA)
where:
Base-Base interactions energy: -326.153
where: short stacking energy: -144.522
Base-Backbone interact. energy: 0.674
local terms energy: -175.286064
where:
bonds (distance) C4'-P energy: -37.166
bonds (distance) P-C4' energy: -39.096
flat angles C4'-P-C4' energy: -40.750
flat angles P-C4'-P energy: -23.682
tors. eta vs tors. theta energy: -34.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -470.215245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.215245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.215245 (E_RNA)
where:
Base-Base interactions energy: -300.981
where: short stacking energy: -139.044
Base-Backbone interact. energy: -0.572
local terms energy: -168.662620
where:
bonds (distance) C4'-P energy: -35.577
bonds (distance) P-C4' energy: -36.864
flat angles C4'-P-C4' energy: -36.784
flat angles P-C4'-P energy: -21.897
tors. eta vs tors. theta energy: -37.541
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: 4
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -443.488264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.488264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.488264 (E_RNA)
where:
Base-Base interactions energy: -295.887
where: short stacking energy: -132.847
Base-Backbone interact. energy: -0.469
local terms energy: -147.132211
where:
bonds (distance) C4'-P energy: -28.659
bonds (distance) P-C4' energy: -28.938
flat angles C4'-P-C4' energy: -35.427
flat angles P-C4'-P energy: -23.741
tors. eta vs tors. theta energy: -30.368
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: 2
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -342.554155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.554155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.554155 (E_RNA)
where:
Base-Base interactions energy: -216.620
where: short stacking energy: -106.289
Base-Backbone interact. energy: -1.594
local terms energy: -124.340227
where:
bonds (distance) C4'-P energy: -26.770
bonds (distance) P-C4' energy: -21.237
flat angles C4'-P-C4' energy: -32.593
flat angles P-C4'-P energy: -14.369
tors. eta vs tors. theta energy: -29.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -328.409469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.409469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.409469 (E_RNA)
where:
Base-Base interactions energy: -199.221
where: short stacking energy: -96.838
Base-Backbone interact. energy: -0.634
local terms energy: -128.553742
where:
bonds (distance) C4'-P energy: -31.582
bonds (distance) P-C4' energy: -33.875
flat angles C4'-P-C4' energy: -32.929
flat angles P-C4'-P energy: -14.874
tors. eta vs tors. theta energy: -15.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -306.915436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.915436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.915436 (E_RNA)
where:
Base-Base interactions energy: -184.129
where: short stacking energy: -81.839
Base-Backbone interact. energy: -0.209
local terms energy: -122.578068
where:
bonds (distance) C4'-P energy: -34.522
bonds (distance) P-C4' energy: -33.513
flat angles C4'-P-C4' energy: -24.354
flat angles P-C4'-P energy: -16.766
tors. eta vs tors. theta energy: -13.424
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: 3
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -221.361953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.361953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.361953 (E_RNA)
where:
Base-Base interactions energy: -120.399
where: short stacking energy: -64.891
Base-Backbone interact. energy: 0.698
local terms energy: -101.660840
where:
bonds (distance) C4'-P energy: -32.791
bonds (distance) P-C4' energy: -30.103
flat angles C4'-P-C4' energy: -30.592
flat angles P-C4'-P energy: -9.968
tors. eta vs tors. theta energy: 1.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -211.503405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.503405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.503405 (E_RNA)
where:
Base-Base interactions energy: -102.852
where: short stacking energy: -54.221
Base-Backbone interact. energy: -0.573
local terms energy: -108.078043
where:
bonds (distance) C4'-P energy: -21.931
bonds (distance) P-C4' energy: -34.426
flat angles C4'-P-C4' energy: -29.393
flat angles P-C4'-P energy: -18.064
tors. eta vs tors. theta energy: -4.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -559.128282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.128282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.128282 (E_RNA)
where:
Base-Base interactions energy: -381.066
where: short stacking energy: -184.165
Base-Backbone interact. energy: 0.014
local terms energy: -178.076463
where:
bonds (distance) C4'-P energy: -32.012
bonds (distance) P-C4' energy: -33.127
flat angles C4'-P-C4' energy: -39.884
flat angles P-C4'-P energy: -24.378
tors. eta vs tors. theta energy: -48.675
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: 10
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -503.531737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.531737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.531737 (E_RNA)
where:
Base-Base interactions energy: -336.776
where: short stacking energy: -147.628
Base-Backbone interact. energy: -1.128
local terms energy: -165.627791
where:
bonds (distance) C4'-P energy: -29.137
bonds (distance) P-C4' energy: -31.347
flat angles C4'-P-C4' energy: -37.189
flat angles P-C4'-P energy: -27.100
tors. eta vs tors. theta energy: -40.855
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: 9
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -479.753808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.753808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.753808 (E_RNA)
where:
Base-Base interactions energy: -324.329
where: short stacking energy: -138.254
Base-Backbone interact. energy: 0.272
local terms energy: -155.697562
where:
bonds (distance) C4'-P energy: -32.531
bonds (distance) P-C4' energy: -33.251
flat angles C4'-P-C4' energy: -36.907
flat angles P-C4'-P energy: -17.693
tors. eta vs tors. theta energy: -35.317
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: 4, replica: 6
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -502.863467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.863467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.863467 (E_RNA)
where:
Base-Base interactions energy: -341.099
where: short stacking energy: -152.083
Base-Backbone interact. energy: -0.816
local terms energy: -160.948369
where:
bonds (distance) C4'-P energy: -28.048
bonds (distance) P-C4' energy: -33.396
flat angles C4'-P-C4' energy: -32.384
flat angles P-C4'-P energy: -26.920
tors. eta vs tors. theta energy: -40.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -444.555947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.555947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.555947 (E_RNA)
where:
Base-Base interactions energy: -294.339
where: short stacking energy: -128.233
Base-Backbone interact. energy: -0.435
local terms energy: -149.781741
where:
bonds (distance) C4'-P energy: -33.088
bonds (distance) P-C4' energy: -31.269
flat angles C4'-P-C4' energy: -33.734
flat angles P-C4'-P energy: -23.347
tors. eta vs tors. theta energy: -28.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -354.714304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.714304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.714304 (E_RNA)
where:
Base-Base interactions energy: -215.474
where: short stacking energy: -108.288
Base-Backbone interact. energy: -0.435
local terms energy: -138.805311
where:
bonds (distance) C4'-P energy: -37.162
bonds (distance) P-C4' energy: -32.255
flat angles C4'-P-C4' energy: -31.967
flat angles P-C4'-P energy: -14.824
tors. eta vs tors. theta energy: -22.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -323.423522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.423522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.423522 (E_RNA)
where:
Base-Base interactions energy: -197.114
where: short stacking energy: -105.263
Base-Backbone interact. energy: -1.194
local terms energy: -125.115291
where:
bonds (distance) C4'-P energy: -31.004
bonds (distance) P-C4' energy: -25.101
flat angles C4'-P-C4' energy: -34.640
flat angles P-C4'-P energy: -21.673
tors. eta vs tors. theta energy: -12.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -331.266455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.266455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.266455 (E_RNA)
where:
Base-Base interactions energy: -207.803
where: short stacking energy: -108.613
Base-Backbone interact. energy: -0.191
local terms energy: -123.271609
where:
bonds (distance) C4'-P energy: -22.670
bonds (distance) P-C4' energy: -33.057
flat angles C4'-P-C4' energy: -19.477
flat angles P-C4'-P energy: -22.626
tors. eta vs tors. theta energy: -25.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -223.898333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.898333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.898333 (E_RNA)
where:
Base-Base interactions energy: -124.545
where: short stacking energy: -69.123
Base-Backbone interact. energy: -0.483
local terms energy: -98.870235
where:
bonds (distance) C4'-P energy: -24.162
bonds (distance) P-C4' energy: -31.459
flat angles C4'-P-C4' energy: -21.485
flat angles P-C4'-P energy: -14.524
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: 10, replica: 7
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -204.939861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.939861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.939861 (E_RNA)
where:
Base-Base interactions energy: -108.166
where: short stacking energy: -66.042
Base-Backbone interact. energy: -0.839
local terms energy: -95.935330
where:
bonds (distance) C4'-P energy: -26.704
bonds (distance) P-C4' energy: -25.596
flat angles C4'-P-C4' energy: -31.571
flat angles P-C4'-P energy: -14.952
tors. eta vs tors. theta energy: 2.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -552.654757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.654757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.654757 (E_RNA)
where:
Base-Base interactions energy: -361.285
where: short stacking energy: -178.224
Base-Backbone interact. energy: 0.366
local terms energy: -191.735219
where:
bonds (distance) C4'-P energy: -34.618
bonds (distance) P-C4' energy: -35.817
flat angles C4'-P-C4' energy: -38.780
flat angles P-C4'-P energy: -28.672
tors. eta vs tors. theta energy: -53.848
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: 10
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -496.576917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.576917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.576917 (E_RNA)
where:
Base-Base interactions energy: -327.995
where: short stacking energy: -153.726
Base-Backbone interact. energy: -1.517
local terms energy: -167.064520
where:
bonds (distance) C4'-P energy: -35.037
bonds (distance) P-C4' energy: -28.645
flat angles C4'-P-C4' energy: -40.596
flat angles P-C4'-P energy: -22.195
tors. eta vs tors. theta energy: -40.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -495.163148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.163148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.163148 (E_RNA)
where:
Base-Base interactions energy: -342.271
where: short stacking energy: -153.023
Base-Backbone interact. energy: 0.491
local terms energy: -153.383281
where:
bonds (distance) C4'-P energy: -26.500
bonds (distance) P-C4' energy: -36.591
flat angles C4'-P-C4' energy: -37.239
flat angles P-C4'-P energy: -14.003
tors. eta vs tors. theta energy: -39.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -482.847676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.847676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.847676 (E_RNA)
where:
Base-Base interactions energy: -323.988
where: short stacking energy: -135.342
Base-Backbone interact. energy: 2.154
local terms energy: -161.013858
where:
bonds (distance) C4'-P energy: -25.772
bonds (distance) P-C4' energy: -39.456
flat angles C4'-P-C4' energy: -32.419
flat angles P-C4'-P energy: -25.164
tors. eta vs tors. theta energy: -38.203
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: 4
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -434.737988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.737988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.737988 (E_RNA)
where:
Base-Base interactions energy: -272.719
where: short stacking energy: -120.316
Base-Backbone interact. energy: -1.331
local terms energy: -160.687532
where:
bonds (distance) C4'-P energy: -40.024
bonds (distance) P-C4' energy: -37.496
flat angles C4'-P-C4' energy: -30.960
flat angles P-C4'-P energy: -20.738
tors. eta vs tors. theta energy: -31.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -376.182612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.182612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.182612 (E_RNA)
where:
Base-Base interactions energy: -229.732
where: short stacking energy: -126.110
Base-Backbone interact. energy: -0.408
local terms energy: -146.042776
where:
bonds (distance) C4'-P energy: -30.196
bonds (distance) P-C4' energy: -28.344
flat angles C4'-P-C4' energy: -32.406
flat angles P-C4'-P energy: -22.195
tors. eta vs tors. theta energy: -32.902
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: 1
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -342.431553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.431553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.431553 (E_RNA)
where:
Base-Base interactions energy: -226.740
where: short stacking energy: -93.841
Base-Backbone interact. energy: -0.566
local terms energy: -115.125209
where:
bonds (distance) C4'-P energy: -23.949
bonds (distance) P-C4' energy: -36.065
flat angles C4'-P-C4' energy: -23.886
flat angles P-C4'-P energy: -19.831
tors. eta vs tors. theta energy: -11.394
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: 8
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -314.502502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.502502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.502502 (E_RNA)
where:
Base-Base interactions energy: -188.726
where: short stacking energy: -91.676
Base-Backbone interact. energy: -0.650
local terms energy: -125.126064
where:
bonds (distance) C4'-P energy: -24.080
bonds (distance) P-C4' energy: -34.453
flat angles C4'-P-C4' energy: -27.016
flat angles P-C4'-P energy: -16.439
tors. eta vs tors. theta energy: -23.138
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: 3
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -229.784986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.784986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.784986 (E_RNA)
where:
Base-Base interactions energy: -102.528
where: short stacking energy: -69.297
Base-Backbone interact. energy: 0.381
local terms energy: -127.637813
where:
bonds (distance) C4'-P energy: -30.628
bonds (distance) P-C4' energy: -35.260
flat angles C4'-P-C4' energy: -26.733
flat angles P-C4'-P energy: -26.519
tors. eta vs tors. theta energy: -8.498
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: 7
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -230.664515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.664515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.664515 (E_RNA)
where:
Base-Base interactions energy: -125.610
where: short stacking energy: -70.181
Base-Backbone interact. energy: -0.520
local terms energy: -104.533834
where:
bonds (distance) C4'-P energy: -21.783
bonds (distance) P-C4' energy: -21.988
flat angles C4'-P-C4' energy: -27.891
flat angles P-C4'-P energy: -21.390
tors. eta vs tors. theta energy: -11.481
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: 5
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -568.746484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.746484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.746484 (E_RNA)
where:
Base-Base interactions energy: -378.856
where: short stacking energy: -189.005
Base-Backbone interact. energy: -0.158
local terms energy: -189.731789
where:
bonds (distance) C4'-P energy: -33.053
bonds (distance) P-C4' energy: -33.590
flat angles C4'-P-C4' energy: -39.606
flat angles P-C4'-P energy: -29.614
tors. eta vs tors. theta energy: -53.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -499.105592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.105592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.105592 (E_RNA)
where:
Base-Base interactions energy: -349.640
where: short stacking energy: -137.988
Base-Backbone interact. energy: -0.507
local terms energy: -148.957945
where:
bonds (distance) C4'-P energy: -32.430
bonds (distance) P-C4' energy: -33.892
flat angles C4'-P-C4' energy: -29.912
flat angles P-C4'-P energy: -18.789
tors. eta vs tors. theta energy: -33.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -524.303996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.303996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.303996 (E_RNA)
where:
Base-Base interactions energy: -354.582
where: short stacking energy: -167.359
Base-Backbone interact. energy: 0.056
local terms energy: -169.778631
where:
bonds (distance) C4'-P energy: -29.017
bonds (distance) P-C4' energy: -33.206
flat angles C4'-P-C4' energy: -39.818
flat angles P-C4'-P energy: -20.593
tors. eta vs tors. theta energy: -47.145
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: 218
Temperature: 1.050000
Total energy: -488.724928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.724928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.724928 (E_RNA)
where:
Base-Base interactions energy: -329.806
where: short stacking energy: -135.950
Base-Backbone interact. energy: 0.733
local terms energy: -159.651896
where:
bonds (distance) C4'-P energy: -33.711
bonds (distance) P-C4' energy: -31.639
flat angles C4'-P-C4' energy: -37.532
flat angles P-C4'-P energy: -23.501
tors. eta vs tors. theta energy: -33.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -438.245531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.245531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.245531 (E_RNA)
where:
Base-Base interactions energy: -300.863
where: short stacking energy: -130.950
Base-Backbone interact. energy: -0.305
local terms energy: -137.077097
where:
bonds (distance) C4'-P energy: -35.772
bonds (distance) P-C4' energy: -31.095
flat angles C4'-P-C4' energy: -28.194
flat angles P-C4'-P energy: -10.568
tors. eta vs tors. theta energy: -31.448
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: 2
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -385.980098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.980098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.980098 (E_RNA)
where:
Base-Base interactions energy: -235.285
where: short stacking energy: -121.542
Base-Backbone interact. energy: 0.868
local terms energy: -151.562521
where:
bonds (distance) C4'-P energy: -30.863
bonds (distance) P-C4' energy: -33.424
flat angles C4'-P-C4' energy: -34.993
flat angles P-C4'-P energy: -24.305
tors. eta vs tors. theta energy: -27.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -327.334225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.334225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.334225 (E_RNA)
where:
Base-Base interactions energy: -199.579
where: short stacking energy: -102.904
Base-Backbone interact. energy: -0.084
local terms energy: -127.671911
where:
bonds (distance) C4'-P energy: -34.576
bonds (distance) P-C4' energy: -23.452
flat angles C4'-P-C4' energy: -31.235
flat angles P-C4'-P energy: -15.617
tors. eta vs tors. theta energy: -22.792
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: 1
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -345.335100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.335100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.335100 (E_RNA)
where:
Base-Base interactions energy: -212.507
where: short stacking energy: -117.257
Base-Backbone interact. energy: -0.286
local terms energy: -132.541518
where:
bonds (distance) C4'-P energy: -31.589
bonds (distance) P-C4' energy: -28.139
flat angles C4'-P-C4' energy: -25.840
flat angles P-C4'-P energy: -20.329
tors. eta vs tors. theta energy: -26.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -241.652140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.652140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.652140 (E_RNA)
where:
Base-Base interactions energy: -138.302
where: short stacking energy: -89.390
Base-Backbone interact. energy: -0.035
local terms energy: -103.314532
where:
bonds (distance) C4'-P energy: -19.349
bonds (distance) P-C4' energy: -21.921
flat angles C4'-P-C4' energy: -25.957
flat angles P-C4'-P energy: -18.055
tors. eta vs tors. theta energy: -18.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -217.470280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.470280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.470280 (E_RNA)
where:
Base-Base interactions energy: -109.624
where: short stacking energy: -74.133
Base-Backbone interact. energy: 1.606
local terms energy: -109.452348
where:
bonds (distance) C4'-P energy: -22.529
bonds (distance) P-C4' energy: -26.375
flat angles C4'-P-C4' energy: -30.664
flat angles P-C4'-P energy: -24.156
tors. eta vs tors. theta energy: -5.729
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: 5
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -554.261911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.261911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.261911 (E_RNA)
where:
Base-Base interactions energy: -365.155
where: short stacking energy: -185.980
Base-Backbone interact. energy: -0.975
local terms energy: -188.132117
where:
bonds (distance) C4'-P energy: -32.575
bonds (distance) P-C4' energy: -33.420
flat angles C4'-P-C4' energy: -34.529
flat angles P-C4'-P energy: -31.585
tors. eta vs tors. theta energy: -56.023
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: 219
Temperature: 0.950000
Total energy: -526.243098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.243098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.243098 (E_RNA)
where:
Base-Base interactions energy: -359.431
where: short stacking energy: -154.194
Base-Backbone interact. energy: -0.799
local terms energy: -166.013923
where:
bonds (distance) C4'-P energy: -25.635
bonds (distance) P-C4' energy: -34.227
flat angles C4'-P-C4' energy: -38.036
flat angles P-C4'-P energy: -24.491
tors. eta vs tors. theta energy: -43.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -492.298838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.298838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.298838 (E_RNA)
where:
Base-Base interactions energy: -332.518
where: short stacking energy: -133.962
Base-Backbone interact. energy: -1.646
local terms energy: -158.134833
where:
bonds (distance) C4'-P energy: -30.793
bonds (distance) P-C4' energy: -35.738
flat angles C4'-P-C4' energy: -37.299
flat angles P-C4'-P energy: -20.648
tors. eta vs tors. theta energy: -33.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -462.204747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.204747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.204747 (E_RNA)
where:
Base-Base interactions energy: -315.448
where: short stacking energy: -136.830
Base-Backbone interact. energy: -0.315
local terms energy: -146.442135
where:
bonds (distance) C4'-P energy: -36.612
bonds (distance) P-C4' energy: -31.445
flat angles C4'-P-C4' energy: -29.784
flat angles P-C4'-P energy: -22.250
tors. eta vs tors. theta energy: -26.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -434.863205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.863205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.863205 (E_RNA)
where:
Base-Base interactions energy: -299.333
where: short stacking energy: -131.223
Base-Backbone interact. energy: -0.579
local terms energy: -134.951467
where:
bonds (distance) C4'-P energy: -31.537
bonds (distance) P-C4' energy: -30.985
flat angles C4'-P-C4' energy: -32.276
flat angles P-C4'-P energy: -19.471
tors. eta vs tors. theta energy: -20.682
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: 2
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -367.457741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.457741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.457741 (E_RNA)
where:
Base-Base interactions energy: -224.195
where: short stacking energy: -114.066
Base-Backbone interact. energy: -0.945
local terms energy: -142.317976
where:
bonds (distance) C4'-P energy: -27.763
bonds (distance) P-C4' energy: -39.156
flat angles C4'-P-C4' energy: -29.986
flat angles P-C4'-P energy: -23.618
tors. eta vs tors. theta energy: -21.796
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: 8
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -356.615365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.615365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.615365 (E_RNA)
where:
Base-Base interactions energy: -221.640
where: short stacking energy: -108.731
Base-Backbone interact. energy: -0.475
local terms energy: -134.500531
where:
bonds (distance) C4'-P energy: -27.138
bonds (distance) P-C4' energy: -38.950
flat angles C4'-P-C4' energy: -31.812
flat angles P-C4'-P energy: -16.398
tors. eta vs tors. theta energy: -20.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -347.672618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.672618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.672618 (E_RNA)
where:
Base-Base interactions energy: -218.726
where: short stacking energy: -118.755
Base-Backbone interact. energy: -0.152
local terms energy: -128.794935
where:
bonds (distance) C4'-P energy: -23.336
bonds (distance) P-C4' energy: -28.287
flat angles C4'-P-C4' energy: -31.330
flat angles P-C4'-P energy: -24.082
tors. eta vs tors. theta energy: -21.759
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: 219
Temperature: 1.300000
Total energy: -273.899153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.899153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.899153 (E_RNA)
where:
Base-Base interactions energy: -157.363
where: short stacking energy: -81.572
Base-Backbone interact. energy: -0.317
local terms energy: -116.219829
where:
bonds (distance) C4'-P energy: -28.407
bonds (distance) P-C4' energy: -33.162
flat angles C4'-P-C4' energy: -26.697
flat angles P-C4'-P energy: -16.795
tors. eta vs tors. theta energy: -11.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -216.899874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.899874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.899874 (E_RNA)
where:
Base-Base interactions energy: -124.423
where: short stacking energy: -82.862
Base-Backbone interact. energy: -0.410
local terms energy: -92.067353
where:
bonds (distance) C4'-P energy: -28.358
bonds (distance) P-C4' energy: -18.077
flat angles C4'-P-C4' energy: -25.334
flat angles P-C4'-P energy: -15.943
tors. eta vs tors. theta energy: -4.355
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: 5
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -553.871969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.871969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.871969 (E_RNA)
where:
Base-Base interactions energy: -364.746
where: short stacking energy: -184.584
Base-Backbone interact. energy: -0.034
local terms energy: -189.091717
where:
bonds (distance) C4'-P energy: -39.413
bonds (distance) P-C4' energy: -32.218
flat angles C4'-P-C4' energy: -38.670
flat angles P-C4'-P energy: -24.225
tors. eta vs tors. theta energy: -54.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -522.018237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.018237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.018237 (E_RNA)
where:
Base-Base interactions energy: -361.829
where: short stacking energy: -161.683
Base-Backbone interact. energy: -0.617
local terms energy: -159.572160
where:
bonds (distance) C4'-P energy: -23.666
bonds (distance) P-C4' energy: -31.643
flat angles C4'-P-C4' energy: -37.018
flat angles P-C4'-P energy: -25.980
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: 3, replica: 6
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -499.874283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.874283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.874283 (E_RNA)
where:
Base-Base interactions energy: -334.816
where: short stacking energy: -143.424
Base-Backbone interact. energy: -0.530
local terms energy: -164.528608
where:
bonds (distance) C4'-P energy: -30.673
bonds (distance) P-C4' energy: -36.522
flat angles C4'-P-C4' energy: -41.589
flat angles P-C4'-P energy: -22.943
tors. eta vs tors. theta energy: -32.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -485.462844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.462844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.462844 (E_RNA)
where:
Base-Base interactions energy: -335.131
where: short stacking energy: -132.949
Base-Backbone interact. energy: -1.135
local terms energy: -149.197118
where:
bonds (distance) C4'-P energy: -33.276
bonds (distance) P-C4' energy: -35.425
flat angles C4'-P-C4' energy: -33.921
flat angles P-C4'-P energy: -17.880
tors. eta vs tors. theta energy: -28.694
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: 4
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -406.262331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.262331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.262331 (E_RNA)
where:
Base-Base interactions energy: -264.258
where: short stacking energy: -128.769
Base-Backbone interact. energy: 2.222
local terms energy: -144.226929
where:
bonds (distance) C4'-P energy: -29.769
bonds (distance) P-C4' energy: -29.344
flat angles C4'-P-C4' energy: -36.123
flat angles P-C4'-P energy: -22.313
tors. eta vs tors. theta energy: -26.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -339.007846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.007846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.007846 (E_RNA)
where:
Base-Base interactions energy: -194.128
where: short stacking energy: -108.628
Base-Backbone interact. energy: -0.696
local terms energy: -144.183248
where:
bonds (distance) C4'-P energy: -26.726
bonds (distance) P-C4' energy: -41.547
flat angles C4'-P-C4' energy: -29.913
flat angles P-C4'-P energy: -23.752
tors. eta vs tors. theta energy: -22.245
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: 8
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -336.461291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.461291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.461291 (E_RNA)
where:
Base-Base interactions energy: -197.839
where: short stacking energy: -112.198
Base-Backbone interact. energy: -1.546
local terms energy: -137.076021
where:
bonds (distance) C4'-P energy: -27.829
bonds (distance) P-C4' energy: -26.763
flat angles C4'-P-C4' energy: -31.403
flat angles P-C4'-P energy: -22.095
tors. eta vs tors. theta energy: -28.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -357.749797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.749797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.749797 (E_RNA)
where:
Base-Base interactions energy: -234.052
where: short stacking energy: -102.509
Base-Backbone interact. energy: 1.106
local terms energy: -124.803230
where:
bonds (distance) C4'-P energy: -26.752
bonds (distance) P-C4' energy: -31.223
flat angles C4'-P-C4' energy: -27.989
flat angles P-C4'-P energy: -18.801
tors. eta vs tors. theta energy: -20.038
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: 220
Temperature: 1.300000
Total energy: -248.456481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.456481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.456481 (E_RNA)
where:
Base-Base interactions energy: -134.989
where: short stacking energy: -85.430
Base-Backbone interact. energy: 2.807
local terms energy: -116.274755
where:
bonds (distance) C4'-P energy: -32.827
bonds (distance) P-C4' energy: -27.509
flat angles C4'-P-C4' energy: -27.725
flat angles P-C4'-P energy: -18.795
tors. eta vs tors. theta energy: -9.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -269.426515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.426515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.426515 (E_RNA)
where:
Base-Base interactions energy: -151.660
where: short stacking energy: -80.131
Base-Backbone interact. energy: -1.621
local terms energy: -116.145367
where:
bonds (distance) C4'-P energy: -32.333
bonds (distance) P-C4' energy: -34.337
flat angles C4'-P-C4' energy: -28.753
flat angles P-C4'-P energy: -8.367
tors. eta vs tors. theta energy: -12.355
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: 5
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -555.750153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.750153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.750153 (E_RNA)
where:
Base-Base interactions energy: -366.837
where: short stacking energy: -194.749
Base-Backbone interact. energy: -0.080
local terms energy: -188.834029
where:
bonds (distance) C4'-P energy: -33.752
bonds (distance) P-C4' energy: -34.983
flat angles C4'-P-C4' energy: -38.227
flat angles P-C4'-P energy: -29.424
tors. eta vs tors. theta energy: -52.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -500.652119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.652119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.652119 (E_RNA)
where:
Base-Base interactions energy: -335.186
where: short stacking energy: -149.792
Base-Backbone interact. energy: -0.558
local terms energy: -164.908802
where:
bonds (distance) C4'-P energy: -27.707
bonds (distance) P-C4' energy: -34.778
flat angles C4'-P-C4' energy: -36.032
flat angles P-C4'-P energy: -31.110
tors. eta vs tors. theta energy: -35.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -514.520391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.520391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.520391 (E_RNA)
where:
Base-Base interactions energy: -353.088
where: short stacking energy: -162.702
Base-Backbone interact. energy: 1.984
local terms energy: -163.416346
where:
bonds (distance) C4'-P energy: -32.283
bonds (distance) P-C4' energy: -34.918
flat angles C4'-P-C4' energy: -36.910
flat angles P-C4'-P energy: -20.782
tors. eta vs tors. theta energy: -38.523
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: 10
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -481.909295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.909295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.909295 (E_RNA)
where:
Base-Base interactions energy: -320.904
where: short stacking energy: -146.833
Base-Backbone interact. energy: -1.613
local terms energy: -159.392648
where:
bonds (distance) C4'-P energy: -28.501
bonds (distance) P-C4' energy: -33.882
flat angles C4'-P-C4' energy: -35.362
flat angles P-C4'-P energy: -25.212
tors. eta vs tors. theta energy: -36.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -418.875764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.875764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.875764 (E_RNA)
where:
Base-Base interactions energy: -266.826
where: short stacking energy: -126.499
Base-Backbone interact. energy: -0.591
local terms energy: -151.458520
where:
bonds (distance) C4'-P energy: -29.315
bonds (distance) P-C4' energy: -36.158
flat angles C4'-P-C4' energy: -32.215
flat angles P-C4'-P energy: -23.562
tors. eta vs tors. theta energy: -30.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -359.785365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.785365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.785365 (E_RNA)
where:
Base-Base interactions energy: -219.794
where: short stacking energy: -117.537
Base-Backbone interact. energy: 0.346
local terms energy: -140.337662
where:
bonds (distance) C4'-P energy: -30.308
bonds (distance) P-C4' energy: -28.346
flat angles C4'-P-C4' energy: -30.256
flat angles P-C4'-P energy: -21.999
tors. eta vs tors. theta energy: -29.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -333.739240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.739240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.739240 (E_RNA)
where:
Base-Base interactions energy: -205.210
where: short stacking energy: -110.940
Base-Backbone interact. energy: -0.488
local terms energy: -128.041515
where:
bonds (distance) C4'-P energy: -24.051
bonds (distance) P-C4' energy: -35.184
flat angles C4'-P-C4' energy: -34.048
flat angles P-C4'-P energy: -15.412
tors. eta vs tors. theta energy: -19.347
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: 1
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -342.103701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.103701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.103701 (E_RNA)
where:
Base-Base interactions energy: -224.250
where: short stacking energy: -100.566
Base-Backbone interact. energy: 0.027
local terms energy: -117.881054
where:
bonds (distance) C4'-P energy: -31.482
bonds (distance) P-C4' energy: -34.062
flat angles C4'-P-C4' energy: -22.011
flat angles P-C4'-P energy: -12.678
tors. eta vs tors. theta energy: -17.648
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: 3
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -248.596443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.596443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.596443 (E_RNA)
where:
Base-Base interactions energy: -124.717
where: short stacking energy: -62.969
Base-Backbone interact. energy: -0.451
local terms energy: -123.429114
where:
bonds (distance) C4'-P energy: -30.815
bonds (distance) P-C4' energy: -36.525
flat angles C4'-P-C4' energy: -31.011
flat angles P-C4'-P energy: -16.497
tors. eta vs tors. theta energy: -8.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -247.894181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.894181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.894181 (E_RNA)
where:
Base-Base interactions energy: -121.979
where: short stacking energy: -57.787
Base-Backbone interact. energy: -0.626
local terms energy: -125.289585
where:
bonds (distance) C4'-P energy: -32.047
bonds (distance) P-C4' energy: -34.576
flat angles C4'-P-C4' energy: -34.276
flat angles P-C4'-P energy: -24.304
tors. eta vs tors. theta energy: -0.087
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: 5
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -545.116284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.116284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.116284 (E_RNA)
where:
Base-Base interactions energy: -354.385
where: short stacking energy: -178.878
Base-Backbone interact. energy: -0.307
local terms energy: -190.424582
where:
bonds (distance) C4'-P energy: -37.494
bonds (distance) P-C4' energy: -35.306
flat angles C4'-P-C4' energy: -35.834
flat angles P-C4'-P energy: -26.836
tors. eta vs tors. theta energy: -54.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -510.194572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.194572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.194572 (E_RNA)
where:
Base-Base interactions energy: -335.311
where: short stacking energy: -154.848
Base-Backbone interact. energy: 1.656
local terms energy: -176.538996
where:
bonds (distance) C4'-P energy: -37.393
bonds (distance) P-C4' energy: -35.941
flat angles C4'-P-C4' energy: -35.342
flat angles P-C4'-P energy: -29.313
tors. eta vs tors. theta energy: -38.549
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: 6
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -523.268467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.268467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.268467 (E_RNA)
where:
Base-Base interactions energy: -367.126
where: short stacking energy: -159.713
Base-Backbone interact. energy: 2.904
local terms energy: -159.045835
where:
bonds (distance) C4'-P energy: -34.269
bonds (distance) P-C4' energy: -28.097
flat angles C4'-P-C4' energy: -37.723
flat angles P-C4'-P energy: -24.090
tors. eta vs tors. theta energy: -34.868
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: 10
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -489.687670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.687670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.687670 (E_RNA)
where:
Base-Base interactions energy: -320.012
where: short stacking energy: -123.074
Base-Backbone interact. energy: -1.679
local terms energy: -167.996571
where:
bonds (distance) C4'-P energy: -37.022
bonds (distance) P-C4' energy: -36.520
flat angles C4'-P-C4' energy: -39.969
flat angles P-C4'-P energy: -19.481
tors. eta vs tors. theta energy: -35.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -400.770329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.770329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.770329 (E_RNA)
where:
Base-Base interactions energy: -261.410
where: short stacking energy: -125.131
Base-Backbone interact. energy: -0.565
local terms energy: -138.795994
where:
bonds (distance) C4'-P energy: -35.364
bonds (distance) P-C4' energy: -32.808
flat angles C4'-P-C4' energy: -26.602
flat angles P-C4'-P energy: -18.589
tors. eta vs tors. theta energy: -25.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -363.284642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.284642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.284642 (E_RNA)
where:
Base-Base interactions energy: -238.555
where: short stacking energy: -115.466
Base-Backbone interact. energy: -1.888
local terms energy: -122.841089
where:
bonds (distance) C4'-P energy: -27.153
bonds (distance) P-C4' energy: -25.369
flat angles C4'-P-C4' energy: -35.624
flat angles P-C4'-P energy: -13.060
tors. eta vs tors. theta energy: -21.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -364.487347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.487347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.487347 (E_RNA)
where:
Base-Base interactions energy: -231.047
where: short stacking energy: -112.063
Base-Backbone interact. energy: -0.192
local terms energy: -133.248148
where:
bonds (distance) C4'-P energy: -27.902
bonds (distance) P-C4' energy: -30.252
flat angles C4'-P-C4' energy: -28.421
flat angles P-C4'-P energy: -23.487
tors. eta vs tors. theta energy: -23.186
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: 2
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -314.597286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.597286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.597286 (E_RNA)
where:
Base-Base interactions energy: -200.806
where: short stacking energy: -93.321
Base-Backbone interact. energy: -1.573
local terms energy: -112.218064
where:
bonds (distance) C4'-P energy: -18.639
bonds (distance) P-C4' energy: -32.106
flat angles C4'-P-C4' energy: -27.978
flat angles P-C4'-P energy: -19.573
tors. eta vs tors. theta energy: -13.922
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: 7
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -217.172085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.172085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.172085 (E_RNA)
where:
Base-Base interactions energy: -117.990
where: short stacking energy: -75.980
Base-Backbone interact. energy: -0.682
local terms energy: -98.500111
where:
bonds (distance) C4'-P energy: -16.424
bonds (distance) P-C4' energy: -36.634
flat angles C4'-P-C4' energy: -27.928
flat angles P-C4'-P energy: -16.526
tors. eta vs tors. theta energy: -0.988
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: 3
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -242.213784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.213784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.213784 (E_RNA)
where:
Base-Base interactions energy: -128.763
where: short stacking energy: -79.923
Base-Backbone interact. energy: 0.441
local terms energy: -113.891410
where:
bonds (distance) C4'-P energy: -21.082
bonds (distance) P-C4' energy: -34.177
flat angles C4'-P-C4' energy: -29.674
flat angles P-C4'-P energy: -12.756
tors. eta vs tors. theta energy: -16.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -552.969407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.969407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.969407 (E_RNA)
where:
Base-Base interactions energy: -360.258
where: short stacking energy: -189.624
Base-Backbone interact. energy: -0.077
local terms energy: -192.634336
where:
bonds (distance) C4'-P energy: -38.349
bonds (distance) P-C4' energy: -37.812
flat angles C4'-P-C4' energy: -39.215
flat angles P-C4'-P energy: -23.600
tors. eta vs tors. theta energy: -53.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -532.165234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.165234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.165234 (E_RNA)
where:
Base-Base interactions energy: -362.139
where: short stacking energy: -157.023
Base-Backbone interact. energy: -0.528
local terms energy: -169.498202
where:
bonds (distance) C4'-P energy: -36.101
bonds (distance) P-C4' energy: -33.571
flat angles C4'-P-C4' energy: -35.166
flat angles P-C4'-P energy: -27.502
tors. eta vs tors. theta energy: -37.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -514.631059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.631059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.631059 (E_RNA)
where:
Base-Base interactions energy: -351.708
where: short stacking energy: -159.563
Base-Backbone interact. energy: 1.937
local terms energy: -164.860499
where:
bonds (distance) C4'-P energy: -26.525
bonds (distance) P-C4' energy: -34.566
flat angles C4'-P-C4' energy: -41.242
flat angles P-C4'-P energy: -23.288
tors. eta vs tors. theta energy: -39.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -484.853369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.853369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.853369 (E_RNA)
where:
Base-Base interactions energy: -329.014
where: short stacking energy: -142.138
Base-Backbone interact. energy: 0.246
local terms energy: -156.085004
where:
bonds (distance) C4'-P energy: -26.620
bonds (distance) P-C4' energy: -28.484
flat angles C4'-P-C4' energy: -41.485
flat angles P-C4'-P energy: -21.061
tors. eta vs tors. theta energy: -38.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -421.280309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.280309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.280309 (E_RNA)
where:
Base-Base interactions energy: -273.637
where: short stacking energy: -130.151
Base-Backbone interact. energy: 0.619
local terms energy: -148.262511
where:
bonds (distance) C4'-P energy: -30.874
bonds (distance) P-C4' energy: -37.333
flat angles C4'-P-C4' energy: -35.433
flat angles P-C4'-P energy: -18.027
tors. eta vs tors. theta energy: -26.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -388.136711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.136711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.136711 (E_RNA)
where:
Base-Base interactions energy: -242.467
where: short stacking energy: -121.193
Base-Backbone interact. energy: -0.024
local terms energy: -145.645527
where:
bonds (distance) C4'-P energy: -26.098
bonds (distance) P-C4' energy: -38.427
flat angles C4'-P-C4' energy: -37.328
flat angles P-C4'-P energy: -22.209
tors. eta vs tors. theta energy: -21.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -339.802255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.802255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.802255 (E_RNA)
where:
Base-Base interactions energy: -207.420
where: short stacking energy: -86.052
Base-Backbone interact. energy: -0.323
local terms energy: -132.059448
where:
bonds (distance) C4'-P energy: -30.419
bonds (distance) P-C4' energy: -32.523
flat angles C4'-P-C4' energy: -29.550
flat angles P-C4'-P energy: -21.846
tors. eta vs tors. theta energy: -17.722
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: 2
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -320.215737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.215737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.215737 (E_RNA)
where:
Base-Base interactions energy: -193.781
where: short stacking energy: -92.599
Base-Backbone interact. energy: -0.143
local terms energy: -126.292208
where:
bonds (distance) C4'-P energy: -32.315
bonds (distance) P-C4' energy: -34.348
flat angles C4'-P-C4' energy: -29.264
flat angles P-C4'-P energy: -15.932
tors. eta vs tors. theta energy: -14.432
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: 9, replica: 7
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -220.589778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.589778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.589778 (E_RNA)
where:
Base-Base interactions energy: -111.311
where: short stacking energy: -71.643
Base-Backbone interact. energy: -0.671
local terms energy: -108.607114
where:
bonds (distance) C4'-P energy: -30.448
bonds (distance) P-C4' energy: -34.178
flat angles C4'-P-C4' energy: -21.578
flat angles P-C4'-P energy: -19.325
tors. eta vs tors. theta energy: -3.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -238.892395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.892395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.892395 (E_RNA)
where:
Base-Base interactions energy: -122.177
where: short stacking energy: -78.407
Base-Backbone interact. energy: -0.249
local terms energy: -116.466340
where:
bonds (distance) C4'-P energy: -21.551
bonds (distance) P-C4' energy: -32.676
flat angles C4'-P-C4' energy: -29.119
flat angles P-C4'-P energy: -21.826
tors. eta vs tors. theta energy: -11.294
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: 1, replica: 6
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -528.571000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.571000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.571000 (E_RNA)
where:
Base-Base interactions energy: -360.696
where: short stacking energy: -164.798
Base-Backbone interact. energy: 1.801
local terms energy: -169.676766
where:
bonds (distance) C4'-P energy: -25.836
bonds (distance) P-C4' energy: -34.505
flat angles C4'-P-C4' energy: -36.890
flat angles P-C4'-P energy: -27.154
tors. eta vs tors. theta energy: -45.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -543.578206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.578206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.578206 (E_RNA)
where:
Base-Base interactions energy: -355.720
where: short stacking energy: -192.024
Base-Backbone interact. energy: 1.141
local terms energy: -188.998328
where:
bonds (distance) C4'-P energy: -31.533
bonds (distance) P-C4' energy: -34.413
flat angles C4'-P-C4' energy: -38.100
flat angles P-C4'-P energy: -30.531
tors. eta vs tors. theta energy: -54.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -495.087897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.087897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.087897 (E_RNA)
where:
Base-Base interactions energy: -332.034
where: short stacking energy: -152.624
Base-Backbone interact. energy: -0.393
local terms energy: -162.661335
where:
bonds (distance) C4'-P energy: -31.956
bonds (distance) P-C4' energy: -34.919
flat angles C4'-P-C4' energy: -38.224
flat angles P-C4'-P energy: -18.825
tors. eta vs tors. theta energy: -38.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -449.449530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.449530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.449530 (E_RNA)
where:
Base-Base interactions energy: -286.511
where: short stacking energy: -133.823
Base-Backbone interact. energy: -0.147
local terms energy: -162.791719
where:
bonds (distance) C4'-P energy: -34.850
bonds (distance) P-C4' energy: -35.207
flat angles C4'-P-C4' energy: -37.975
flat angles P-C4'-P energy: -20.619
tors. eta vs tors. theta energy: -34.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -414.581831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.581831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.581831 (E_RNA)
where:
Base-Base interactions energy: -274.716
where: short stacking energy: -130.535
Base-Backbone interact. energy: -0.252
local terms energy: -139.613354
where:
bonds (distance) C4'-P energy: -24.793
bonds (distance) P-C4' energy: -33.410
flat angles C4'-P-C4' energy: -30.547
flat angles P-C4'-P energy: -18.413
tors. eta vs tors. theta energy: -32.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -374.863234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.863234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.863234 (E_RNA)
where:
Base-Base interactions energy: -232.478
where: short stacking energy: -111.901
Base-Backbone interact. energy: 1.768
local terms energy: -144.153283
where:
bonds (distance) C4'-P energy: -29.650
bonds (distance) P-C4' energy: -34.342
flat angles C4'-P-C4' energy: -35.715
flat angles P-C4'-P energy: -15.382
tors. eta vs tors. theta energy: -29.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -341.272104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.272104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.272104 (E_RNA)
where:
Base-Base interactions energy: -209.480
where: short stacking energy: -94.646
Base-Backbone interact. energy: -0.742
local terms energy: -131.050742
where:
bonds (distance) C4'-P energy: -35.105
bonds (distance) P-C4' energy: -37.917
flat angles C4'-P-C4' energy: -29.046
flat angles P-C4'-P energy: -15.346
tors. eta vs tors. theta energy: -13.636
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: 8
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -332.658388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.658388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.658388 (E_RNA)
where:
Base-Base interactions energy: -197.838
where: short stacking energy: -103.051
Base-Backbone interact. energy: -2.305
local terms energy: -132.515661
where:
bonds (distance) C4'-P energy: -31.496
bonds (distance) P-C4' energy: -35.143
flat angles C4'-P-C4' energy: -25.735
flat angles P-C4'-P energy: -12.538
tors. eta vs tors. theta energy: -27.603
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: 9, replica: 3
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -275.229901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.229901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.229901 (E_RNA)
where:
Base-Base interactions energy: -172.000
where: short stacking energy: -93.416
Base-Backbone interact. energy: -0.857
local terms energy: -102.372601
where:
bonds (distance) C4'-P energy: -31.147
bonds (distance) P-C4' energy: -30.811
flat angles C4'-P-C4' energy: -25.192
flat angles P-C4'-P energy: -9.163
tors. eta vs tors. theta energy: -6.060
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: 7
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -267.531685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.531685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.531685 (E_RNA)
where:
Base-Base interactions energy: -161.522
where: short stacking energy: -80.529
Base-Backbone interact. energy: -0.048
local terms energy: -105.961471
where:
bonds (distance) C4'-P energy: -31.091
bonds (distance) P-C4' energy: -33.740
flat angles C4'-P-C4' energy: -27.337
flat angles P-C4'-P energy: -11.350
tors. eta vs tors. theta energy: -2.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -545.340534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.340534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.340534 (E_RNA)
where:
Base-Base interactions energy: -368.692
where: short stacking energy: -167.768
Base-Backbone interact. energy: -0.658
local terms energy: -175.990305
where:
bonds (distance) C4'-P energy: -30.697
bonds (distance) P-C4' energy: -35.088
flat angles C4'-P-C4' energy: -37.514
flat angles P-C4'-P energy: -26.640
tors. eta vs tors. theta energy: -46.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -520.245642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.245642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.245642 (E_RNA)
where:
Base-Base interactions energy: -346.775
where: short stacking energy: -176.455
Base-Backbone interact. energy: 0.716
local terms energy: -174.186214
where:
bonds (distance) C4'-P energy: -33.455
bonds (distance) P-C4' energy: -32.002
flat angles C4'-P-C4' energy: -33.758
flat angles P-C4'-P energy: -24.412
tors. eta vs tors. theta energy: -50.560
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: 9
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -509.615785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.615785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.615785 (E_RNA)
where:
Base-Base interactions energy: -347.363
where: short stacking energy: -157.148
Base-Backbone interact. energy: 1.503
local terms energy: -163.755677
where:
bonds (distance) C4'-P energy: -26.314
bonds (distance) P-C4' energy: -36.798
flat angles C4'-P-C4' energy: -41.345
flat angles P-C4'-P energy: -20.447
tors. eta vs tors. theta energy: -38.851
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: 10
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -445.513431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.513431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.513431 (E_RNA)
where:
Base-Base interactions energy: -303.740
where: short stacking energy: -137.630
Base-Backbone interact. energy: 1.758
local terms energy: -143.530590
where:
bonds (distance) C4'-P energy: -28.920
bonds (distance) P-C4' energy: -28.737
flat angles C4'-P-C4' energy: -34.583
flat angles P-C4'-P energy: -17.841
tors. eta vs tors. theta energy: -33.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -397.586062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.586062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.586062 (E_RNA)
where:
Base-Base interactions energy: -252.172
where: short stacking energy: -128.081
Base-Backbone interact. energy: -0.483
local terms energy: -144.931096
where:
bonds (distance) C4'-P energy: -32.762
bonds (distance) P-C4' energy: -28.513
flat angles C4'-P-C4' energy: -39.467
flat angles P-C4'-P energy: -20.235
tors. eta vs tors. theta energy: -23.954
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: 6, replica: 2
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -395.002707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.002707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.002707 (E_RNA)
where:
Base-Base interactions energy: -260.491
where: short stacking energy: -116.519
Base-Backbone interact. energy: -1.138
local terms energy: -133.373771
where:
bonds (distance) C4'-P energy: -28.313
bonds (distance) P-C4' energy: -33.867
flat angles C4'-P-C4' energy: -26.424
flat angles P-C4'-P energy: -21.114
tors. eta vs tors. theta energy: -23.657
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: 7, replica: 1
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -361.001806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.001806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.001806 (E_RNA)
where:
Base-Base interactions energy: -209.160
where: short stacking energy: -107.853
Base-Backbone interact. energy: -0.215
local terms energy: -151.627034
where:
bonds (distance) C4'-P energy: -36.087
bonds (distance) P-C4' energy: -35.365
flat angles C4'-P-C4' energy: -33.786
flat angles P-C4'-P energy: -18.379
tors. eta vs tors. theta energy: -28.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -351.200967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.200967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.200967 (E_RNA)
where:
Base-Base interactions energy: -230.584
where: short stacking energy: -115.165
Base-Backbone interact. energy: 1.399
local terms energy: -122.016211
where:
bonds (distance) C4'-P energy: -33.757
bonds (distance) P-C4' energy: -28.511
flat angles C4'-P-C4' energy: -20.101
flat angles P-C4'-P energy: -18.398
tors. eta vs tors. theta energy: -21.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -286.813212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.813212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.813212 (E_RNA)
where:
Base-Base interactions energy: -167.073
where: short stacking energy: -85.827
Base-Backbone interact. energy: -0.020
local terms energy: -119.719440
where:
bonds (distance) C4'-P energy: -22.586
bonds (distance) P-C4' energy: -34.049
flat angles C4'-P-C4' energy: -28.941
flat angles P-C4'-P energy: -18.517
tors. eta vs tors. theta energy: -15.627
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: 7
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -215.114547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.114547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.114547 (E_RNA)
where:
Base-Base interactions energy: -107.069
where: short stacking energy: -52.786
Base-Backbone interact. energy: -0.054
local terms energy: -107.992115
where:
bonds (distance) C4'-P energy: -23.638
bonds (distance) P-C4' energy: -31.694
flat angles C4'-P-C4' energy: -33.395
flat angles P-C4'-P energy: -17.588
tors. eta vs tors. theta energy: -1.678
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: 5
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -549.725837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.725837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.725837 (E_RNA)
where:
Base-Base interactions energy: -360.058
where: short stacking energy: -190.267
Base-Backbone interact. energy: 0.183
local terms energy: -189.850290
where:
bonds (distance) C4'-P energy: -35.565
bonds (distance) P-C4' energy: -38.995
flat angles C4'-P-C4' energy: -37.490
flat angles P-C4'-P energy: -26.069
tors. eta vs tors. theta energy: -51.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -519.226891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.226891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.226891 (E_RNA)
where:
Base-Base interactions energy: -348.744
where: short stacking energy: -154.942
Base-Backbone interact. energy: -0.469
local terms energy: -170.013614
where:
bonds (distance) C4'-P energy: -32.119
bonds (distance) P-C4' energy: -38.196
flat angles C4'-P-C4' energy: -36.859
flat angles P-C4'-P energy: -21.063
tors. eta vs tors. theta energy: -41.777
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: 9
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -495.061526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.061526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.061526 (E_RNA)
where:
Base-Base interactions energy: -335.917
where: short stacking energy: -138.449
Base-Backbone interact. energy: 2.946
local terms energy: -162.090862
where:
bonds (distance) C4'-P energy: -35.507
bonds (distance) P-C4' energy: -26.732
flat angles C4'-P-C4' energy: -39.468
flat angles P-C4'-P energy: -26.364
tors. eta vs tors. theta energy: -34.020
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: 10
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -452.823111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.823111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.823111 (E_RNA)
where:
Base-Base interactions energy: -299.237
where: short stacking energy: -142.947
Base-Backbone interact. energy: 2.456
local terms energy: -156.041933
where:
bonds (distance) C4'-P energy: -31.804
bonds (distance) P-C4' energy: -26.532
flat angles C4'-P-C4' energy: -41.429
flat angles P-C4'-P energy: -24.635
tors. eta vs tors. theta energy: -31.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -419.188533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.188533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.188533 (E_RNA)
where:
Base-Base interactions energy: -273.850
where: short stacking energy: -123.888
Base-Backbone interact. energy: -1.091
local terms energy: -144.248154
where:
bonds (distance) C4'-P energy: -34.770
bonds (distance) P-C4' energy: -28.940
flat angles C4'-P-C4' energy: -27.942
flat angles P-C4'-P energy: -24.094
tors. eta vs tors. theta energy: -28.502
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: 4
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -410.565593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.565593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.565593 (E_RNA)
where:
Base-Base interactions energy: -269.928
where: short stacking energy: -124.445
Base-Backbone interact. energy: -0.301
local terms energy: -140.336149
where:
bonds (distance) C4'-P energy: -26.083
bonds (distance) P-C4' energy: -31.909
flat angles C4'-P-C4' energy: -28.928
flat angles P-C4'-P energy: -25.235
tors. eta vs tors. theta energy: -28.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -352.370804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.370804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.370804 (E_RNA)
where:
Base-Base interactions energy: -199.229
where: short stacking energy: -118.794
Base-Backbone interact. energy: -0.275
local terms energy: -152.867156
where:
bonds (distance) C4'-P energy: -33.594
bonds (distance) P-C4' energy: -35.965
flat angles C4'-P-C4' energy: -32.143
flat angles P-C4'-P energy: -23.806
tors. eta vs tors. theta energy: -27.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -340.884842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.884842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.884842 (E_RNA)
where:
Base-Base interactions energy: -213.784
where: short stacking energy: -96.597
Base-Backbone interact. energy: 1.270
local terms energy: -128.371078
where:
bonds (distance) C4'-P energy: -36.550
bonds (distance) P-C4' energy: -28.749
flat angles C4'-P-C4' energy: -22.365
flat angles P-C4'-P energy: -18.421
tors. eta vs tors. theta energy: -22.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -299.432197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.432197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.432197 (E_RNA)
where:
Base-Base interactions energy: -171.549
where: short stacking energy: -86.978
Base-Backbone interact. energy: 3.482
local terms energy: -131.364960
where:
bonds (distance) C4'-P energy: -35.229
bonds (distance) P-C4' energy: -31.023
flat angles C4'-P-C4' energy: -30.963
flat angles P-C4'-P energy: -17.155
tors. eta vs tors. theta energy: -16.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -215.849826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.849826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.849826 (E_RNA)
where:
Base-Base interactions energy: -101.095
where: short stacking energy: -64.600
Base-Backbone interact. energy: -0.415
local terms energy: -114.339868
where:
bonds (distance) C4'-P energy: -23.489
bonds (distance) P-C4' energy: -29.697
flat angles C4'-P-C4' energy: -34.500
flat angles P-C4'-P energy: -13.003
tors. eta vs tors. theta energy: -13.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -565.141852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.141852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.141852 (E_RNA)
where:
Base-Base interactions energy: -371.197
where: short stacking energy: -187.701
Base-Backbone interact. energy: -0.168
local terms energy: -193.777151
where:
bonds (distance) C4'-P energy: -35.921
bonds (distance) P-C4' energy: -34.076
flat angles C4'-P-C4' energy: -39.005
flat angles P-C4'-P energy: -29.275
tors. eta vs tors. theta energy: -55.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -512.519553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.519553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.519553 (E_RNA)
where:
Base-Base interactions energy: -342.256
where: short stacking energy: -148.427
Base-Backbone interact. energy: -0.745
local terms energy: -169.518435
where:
bonds (distance) C4'-P energy: -31.177
bonds (distance) P-C4' energy: -36.313
flat angles C4'-P-C4' energy: -34.217
flat angles P-C4'-P energy: -27.503
tors. eta vs tors. theta energy: -40.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -479.516579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.516579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.516579 (E_RNA)
where:
Base-Base interactions energy: -310.813
where: short stacking energy: -145.715
Base-Backbone interact. energy: -0.597
local terms energy: -168.106150
where:
bonds (distance) C4'-P energy: -34.955
bonds (distance) P-C4' energy: -28.918
flat angles C4'-P-C4' energy: -35.558
flat angles P-C4'-P energy: -28.295
tors. eta vs tors. theta energy: -40.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -442.734333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.734333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.734333 (E_RNA)
where:
Base-Base interactions energy: -293.222
where: short stacking energy: -127.142
Base-Backbone interact. energy: 1.044
local terms energy: -150.556588
where:
bonds (distance) C4'-P energy: -34.209
bonds (distance) P-C4' energy: -31.231
flat angles C4'-P-C4' energy: -33.517
flat angles P-C4'-P energy: -20.041
tors. eta vs tors. theta energy: -31.559
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: 2
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -385.338385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.338385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.338385 (E_RNA)
where:
Base-Base interactions energy: -238.207
where: short stacking energy: -106.855
Base-Backbone interact. energy: -0.607
local terms energy: -146.524666
where:
bonds (distance) C4'-P energy: -36.157
bonds (distance) P-C4' energy: -33.698
flat angles C4'-P-C4' energy: -33.207
flat angles P-C4'-P energy: -23.707
tors. eta vs tors. theta energy: -19.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -401.271888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.271888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.271888 (E_RNA)
where:
Base-Base interactions energy: -256.816
where: short stacking energy: -120.510
Base-Backbone interact. energy: 1.933
local terms energy: -146.388428
where:
bonds (distance) C4'-P energy: -34.015
bonds (distance) P-C4' energy: -36.797
flat angles C4'-P-C4' energy: -33.277
flat angles P-C4'-P energy: -8.817
tors. eta vs tors. theta energy: -33.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -342.163677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.163677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.163677 (E_RNA)
where:
Base-Base interactions energy: -216.599
where: short stacking energy: -119.079
Base-Backbone interact. energy: 1.649
local terms energy: -127.213450
where:
bonds (distance) C4'-P energy: -31.112
bonds (distance) P-C4' energy: -33.520
flat angles C4'-P-C4' energy: -25.755
flat angles P-C4'-P energy: -20.541
tors. eta vs tors. theta energy: -16.286
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: 3
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -329.319982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.319982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.319982 (E_RNA)
where:
Base-Base interactions energy: -199.695
where: short stacking energy: -106.425
Base-Backbone interact. energy: -0.565
local terms energy: -129.060079
where:
bonds (distance) C4'-P energy: -21.046
bonds (distance) P-C4' energy: -31.263
flat angles C4'-P-C4' energy: -34.133
flat angles P-C4'-P energy: -15.268
tors. eta vs tors. theta energy: -27.350
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: 1
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -294.892843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.892843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.892843 (E_RNA)
where:
Base-Base interactions energy: -183.825
where: short stacking energy: -81.718
Base-Backbone interact. energy: -0.437
local terms energy: -110.630459
where:
bonds (distance) C4'-P energy: -27.160
bonds (distance) P-C4' energy: -37.646
flat angles C4'-P-C4' energy: -14.367
flat angles P-C4'-P energy: -23.729
tors. eta vs tors. theta energy: -7.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -223.645616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.645616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.645616 (E_RNA)
where:
Base-Base interactions energy: -117.977
where: short stacking energy: -60.766
Base-Backbone interact. energy: -0.854
local terms energy: -104.814391
where:
bonds (distance) C4'-P energy: -26.823
bonds (distance) P-C4' energy: -33.978
flat angles C4'-P-C4' energy: -25.162
flat angles P-C4'-P energy: -15.500
tors. eta vs tors. theta energy: -3.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -556.004751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.004751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.004751 (E_RNA)
where:
Base-Base interactions energy: -360.666
where: short stacking energy: -184.235
Base-Backbone interact. energy: -0.031
local terms energy: -195.308420
where:
bonds (distance) C4'-P energy: -34.586
bonds (distance) P-C4' energy: -33.496
flat angles C4'-P-C4' energy: -43.280
flat angles P-C4'-P energy: -31.921
tors. eta vs tors. theta energy: -52.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -509.356775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.356775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.356775 (E_RNA)
where:
Base-Base interactions energy: -338.561
where: short stacking energy: -150.291
Base-Backbone interact. energy: -0.517
local terms energy: -170.279265
where:
bonds (distance) C4'-P energy: -29.223
bonds (distance) P-C4' energy: -34.121
flat angles C4'-P-C4' energy: -38.907
flat angles P-C4'-P energy: -26.337
tors. eta vs tors. theta energy: -41.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -454.987948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.987948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.987948 (E_RNA)
where:
Base-Base interactions energy: -303.758
where: short stacking energy: -140.155
Base-Backbone interact. energy: -0.452
local terms energy: -150.777826
where:
bonds (distance) C4'-P energy: -32.213
bonds (distance) P-C4' energy: -34.503
flat angles C4'-P-C4' energy: -31.493
flat angles P-C4'-P energy: -21.684
tors. eta vs tors. theta energy: -30.886
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: 9
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -479.504288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.504288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.504288 (E_RNA)
where:
Base-Base interactions energy: -323.179
where: short stacking energy: -149.240
Base-Backbone interact. energy: 0.941
local terms energy: -157.265842
where:
bonds (distance) C4'-P energy: -36.104
bonds (distance) P-C4' energy: -31.143
flat angles C4'-P-C4' energy: -28.782
flat angles P-C4'-P energy: -24.139
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: 5, replica: 2
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -367.595800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.595800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.595800 (E_RNA)
where:
Base-Base interactions energy: -237.472
where: short stacking energy: -105.198
Base-Backbone interact. energy: -0.393
local terms energy: -129.730901
where:
bonds (distance) C4'-P energy: -33.623
bonds (distance) P-C4' energy: -32.409
flat angles C4'-P-C4' energy: -19.994
flat angles P-C4'-P energy: -25.100
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: 6, replica: 4
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -388.848631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.848631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.848631 (E_RNA)
where:
Base-Base interactions energy: -241.567
where: short stacking energy: -109.010
Base-Backbone interact. energy: -1.062
local terms energy: -146.219597
where:
bonds (distance) C4'-P energy: -30.997
bonds (distance) P-C4' energy: -30.452
flat angles C4'-P-C4' energy: -27.887
flat angles P-C4'-P energy: -26.269
tors. eta vs tors. theta energy: -30.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -326.292764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.292764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.292764 (E_RNA)
where:
Base-Base interactions energy: -189.981
where: short stacking energy: -94.820
Base-Backbone interact. energy: -0.198
local terms energy: -136.113802
where:
bonds (distance) C4'-P energy: -31.984
bonds (distance) P-C4' energy: -27.802
flat angles C4'-P-C4' energy: -33.293
flat angles P-C4'-P energy: -22.708
tors. eta vs tors. theta energy: -20.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -306.027327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.027327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.027327 (E_RNA)
where:
Base-Base interactions energy: -183.255
where: short stacking energy: -89.528
Base-Backbone interact. energy: -0.230
local terms energy: -122.542184
where:
bonds (distance) C4'-P energy: -29.116
bonds (distance) P-C4' energy: -33.738
flat angles C4'-P-C4' energy: -28.397
flat angles P-C4'-P energy: -18.720
tors. eta vs tors. theta energy: -12.571
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: 1
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -288.824104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.824104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.824104 (E_RNA)
where:
Base-Base interactions energy: -188.393
where: short stacking energy: -95.238
Base-Backbone interact. energy: 0.455
local terms energy: -100.885717
where:
bonds (distance) C4'-P energy: -27.882
bonds (distance) P-C4' energy: -24.127
flat angles C4'-P-C4' energy: -20.660
flat angles P-C4'-P energy: -18.637
tors. eta vs tors. theta energy: -9.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -252.648026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.648026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.648026 (E_RNA)
where:
Base-Base interactions energy: -139.914
where: short stacking energy: -92.644
Base-Backbone interact. energy: -0.574
local terms energy: -112.159854
where:
bonds (distance) C4'-P energy: -24.417
bonds (distance) P-C4' energy: -30.226
flat angles C4'-P-C4' energy: -34.265
flat angles P-C4'-P energy: -8.516
tors. eta vs tors. theta energy: -14.736
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: 5
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -550.722988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.722988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.722988 (E_RNA)
where:
Base-Base interactions energy: -361.085
where: short stacking energy: -186.166
Base-Backbone interact. energy: 0.263
local terms energy: -189.901081
where:
bonds (distance) C4'-P energy: -33.637
bonds (distance) P-C4' energy: -37.539
flat angles C4'-P-C4' energy: -41.404
flat angles P-C4'-P energy: -26.758
tors. eta vs tors. theta energy: -50.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -535.800437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.800437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.800437 (E_RNA)
where:
Base-Base interactions energy: -355.726
where: short stacking energy: -158.871
Base-Backbone interact. energy: -0.515
local terms energy: -179.559035
where:
bonds (distance) C4'-P energy: -35.674
bonds (distance) P-C4' energy: -35.306
flat angles C4'-P-C4' energy: -39.032
flat angles P-C4'-P energy: -26.385
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: 3, replica: 10
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -462.575044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.575044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.575044 (E_RNA)
where:
Base-Base interactions energy: -303.948
where: short stacking energy: -145.487
Base-Backbone interact. energy: -0.867
local terms energy: -157.759777
where:
bonds (distance) C4'-P energy: -35.529
bonds (distance) P-C4' energy: -36.586
flat angles C4'-P-C4' energy: -36.042
flat angles P-C4'-P energy: -25.554
tors. eta vs tors. theta energy: -24.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -489.423663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.423663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.423663 (E_RNA)
where:
Base-Base interactions energy: -316.506
where: short stacking energy: -148.796
Base-Backbone interact. energy: -0.642
local terms energy: -172.275861
where:
bonds (distance) C4'-P energy: -36.780
bonds (distance) P-C4' energy: -35.280
flat angles C4'-P-C4' energy: -38.464
flat angles P-C4'-P energy: -16.937
tors. eta vs tors. theta energy: -44.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -412.244362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.244362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.244362 (E_RNA)
where:
Base-Base interactions energy: -257.269
where: short stacking energy: -130.747
Base-Backbone interact. energy: -0.566
local terms energy: -154.409609
where:
bonds (distance) C4'-P energy: -35.703
bonds (distance) P-C4' energy: -37.375
flat angles C4'-P-C4' energy: -34.797
flat angles P-C4'-P energy: -13.924
tors. eta vs tors. theta energy: -32.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -342.796275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.796275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.796275 (E_RNA)
where:
Base-Base interactions energy: -210.435
where: short stacking energy: -114.532
Base-Backbone interact. energy: 0.517
local terms energy: -132.878959
where:
bonds (distance) C4'-P energy: -27.376
bonds (distance) P-C4' energy: -28.260
flat angles C4'-P-C4' energy: -31.979
flat angles P-C4'-P energy: -21.236
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: 7, replica: 4
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -382.051866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.051866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.051866 (E_RNA)
where:
Base-Base interactions energy: -256.258
where: short stacking energy: -107.492
Base-Backbone interact. energy: 3.552
local terms energy: -129.345471
where:
bonds (distance) C4'-P energy: -30.293
bonds (distance) P-C4' energy: -31.220
flat angles C4'-P-C4' energy: -31.319
flat angles P-C4'-P energy: -16.297
tors. eta vs tors. theta energy: -20.217
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: 1
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -312.045372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.045372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.045372 (E_RNA)
where:
Base-Base interactions energy: -182.064
where: short stacking energy: -84.635
Base-Backbone interact. energy: -0.831
local terms energy: -129.150264
where:
bonds (distance) C4'-P energy: -30.257
bonds (distance) P-C4' energy: -35.066
flat angles C4'-P-C4' energy: -27.924
flat angles P-C4'-P energy: -19.488
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: 9, replica: 8
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -311.449087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.449087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.449087 (E_RNA)
where:
Base-Base interactions energy: -183.577
where: short stacking energy: -96.242
Base-Backbone interact. energy: -0.452
local terms energy: -127.419828
where:
bonds (distance) C4'-P energy: -26.081
bonds (distance) P-C4' energy: -31.403
flat angles C4'-P-C4' energy: -31.843
flat angles P-C4'-P energy: -23.436
tors. eta vs tors. theta energy: -14.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -227.283031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.283031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.283031 (E_RNA)
where:
Base-Base interactions energy: -131.622
where: short stacking energy: -82.497
Base-Backbone interact. energy: -0.246
local terms energy: -95.414935
where:
bonds (distance) C4'-P energy: -18.063
bonds (distance) P-C4' energy: -30.033
flat angles C4'-P-C4' energy: -26.252
flat angles P-C4'-P energy: -17.943
tors. eta vs tors. theta energy: -3.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -564.841593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.841593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.841593 (E_RNA)
where:
Base-Base interactions energy: -360.119
where: short stacking energy: -190.874
Base-Backbone interact. energy: -0.004
local terms energy: -204.718892
where:
bonds (distance) C4'-P energy: -40.282
bonds (distance) P-C4' energy: -38.943
flat angles C4'-P-C4' energy: -35.407
flat angles P-C4'-P energy: -31.081
tors. eta vs tors. theta energy: -59.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -529.996461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.996461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.996461 (E_RNA)
where:
Base-Base interactions energy: -346.416
where: short stacking energy: -160.736
Base-Backbone interact. energy: -0.736
local terms energy: -182.843795
where:
bonds (distance) C4'-P energy: -36.307
bonds (distance) P-C4' energy: -35.977
flat angles C4'-P-C4' energy: -40.718
flat angles P-C4'-P energy: -27.611
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: 3, replica: 10
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -459.508757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.508757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.508757 (E_RNA)
where:
Base-Base interactions energy: -294.425
where: short stacking energy: -146.270
Base-Backbone interact. energy: 1.561
local terms energy: -166.644702
where:
bonds (distance) C4'-P energy: -35.557
bonds (distance) P-C4' energy: -40.809
flat angles C4'-P-C4' energy: -33.649
flat angles P-C4'-P energy: -20.671
tors. eta vs tors. theta energy: -35.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -466.789795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.789795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.789795 (E_RNA)
where:
Base-Base interactions energy: -309.334
where: short stacking energy: -136.494
Base-Backbone interact. energy: -0.573
local terms energy: -156.882845
where:
bonds (distance) C4'-P energy: -34.001
bonds (distance) P-C4' energy: -33.642
flat angles C4'-P-C4' energy: -29.763
flat angles P-C4'-P energy: -24.974
tors. eta vs tors. theta energy: -34.503
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: 5, replica: 3
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -363.523034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.523034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.523034 (E_RNA)
where:
Base-Base interactions energy: -219.136
where: short stacking energy: -111.130
Base-Backbone interact. energy: -0.312
local terms energy: -144.074699
where:
bonds (distance) C4'-P energy: -31.360
bonds (distance) P-C4' energy: -29.940
flat angles C4'-P-C4' energy: -27.955
flat angles P-C4'-P energy: -21.728
tors. eta vs tors. theta energy: -33.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -367.206171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.206171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.206171 (E_RNA)
where:
Base-Base interactions energy: -229.221
where: short stacking energy: -121.232
Base-Backbone interact. energy: -0.318
local terms energy: -137.667814
where:
bonds (distance) C4'-P energy: -32.784
bonds (distance) P-C4' energy: -33.619
flat angles C4'-P-C4' energy: -29.465
flat angles P-C4'-P energy: -16.192
tors. eta vs tors. theta energy: -25.609
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: 230
Temperature: 1.200000
Total energy: -370.949132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.949132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.949132 (E_RNA)
where:
Base-Base interactions energy: -238.678
where: short stacking energy: -113.534
Base-Backbone interact. energy: 1.097
local terms energy: -133.368184
where:
bonds (distance) C4'-P energy: -27.223
bonds (distance) P-C4' energy: -35.144
flat angles C4'-P-C4' energy: -27.018
flat angles P-C4'-P energy: -21.661
tors. eta vs tors. theta energy: -22.323
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: 8, replica: 1
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -305.655585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.655585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.655585 (E_RNA)
where:
Base-Base interactions energy: -169.336
where: short stacking energy: -81.301
Base-Backbone interact. energy: 0.587
local terms energy: -136.906184
where:
bonds (distance) C4'-P energy: -37.168
bonds (distance) P-C4' energy: -32.577
flat angles C4'-P-C4' energy: -32.457
flat angles P-C4'-P energy: -21.656
tors. eta vs tors. theta energy: -13.049
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: 8
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -316.387112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.387112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.387112 (E_RNA)
where:
Base-Base interactions energy: -179.483
where: short stacking energy: -89.474
Base-Backbone interact. energy: -1.992
local terms energy: -134.912092
where:
bonds (distance) C4'-P energy: -30.934
bonds (distance) P-C4' energy: -27.260
flat angles C4'-P-C4' energy: -28.385
flat angles P-C4'-P energy: -22.498
tors. eta vs tors. theta energy: -25.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -227.658606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.658606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.658606 (E_RNA)
where:
Base-Base interactions energy: -124.013
where: short stacking energy: -72.616
Base-Backbone interact. energy: -0.451
local terms energy: -103.194273
where:
bonds (distance) C4'-P energy: -25.868
bonds (distance) P-C4' energy: -29.706
flat angles C4'-P-C4' energy: -18.030
flat angles P-C4'-P energy: -17.349
tors. eta vs tors. theta energy: -12.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -576.666048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.666048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.666048 (E_RNA)
where:
Base-Base interactions energy: -384.788
where: short stacking energy: -195.723
Base-Backbone interact. energy: -0.033
local terms energy: -191.844868
where:
bonds (distance) C4'-P energy: -35.389
bonds (distance) P-C4' energy: -29.592
flat angles C4'-P-C4' energy: -40.738
flat angles P-C4'-P energy: -27.660
tors. eta vs tors. theta energy: -58.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -542.444757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.444757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.444757 (E_RNA)
where:
Base-Base interactions energy: -362.043
where: short stacking energy: -164.797
Base-Backbone interact. energy: -0.558
local terms energy: -179.843701
where:
bonds (distance) C4'-P energy: -36.188
bonds (distance) P-C4' energy: -38.414
flat angles C4'-P-C4' energy: -34.849
flat angles P-C4'-P energy: -28.359
tors. eta vs tors. theta energy: -42.034
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: 3, replica: 10
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -483.709554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.709554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.709554 (E_RNA)
where:
Base-Base interactions energy: -336.762
where: short stacking energy: -148.841
Base-Backbone interact. energy: 1.901
local terms energy: -148.847918
where:
bonds (distance) C4'-P energy: -34.506
bonds (distance) P-C4' energy: -30.898
flat angles C4'-P-C4' energy: -31.645
flat angles P-C4'-P energy: -22.556
tors. eta vs tors. theta energy: -29.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -483.063838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.063838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.063838 (E_RNA)
where:
Base-Base interactions energy: -320.718
where: short stacking energy: -150.035
Base-Backbone interact. energy: -0.334
local terms energy: -162.010947
where:
bonds (distance) C4'-P energy: -34.025
bonds (distance) P-C4' energy: -35.976
flat angles C4'-P-C4' energy: -36.322
flat angles P-C4'-P energy: -17.593
tors. eta vs tors. theta energy: -38.096
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: 3
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -390.337665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.337665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.337665 (E_RNA)
where:
Base-Base interactions energy: -250.296
where: short stacking energy: -131.699
Base-Backbone interact. energy: -1.234
local terms energy: -138.807224
where:
bonds (distance) C4'-P energy: -30.167
bonds (distance) P-C4' energy: -34.169
flat angles C4'-P-C4' energy: -28.582
flat angles P-C4'-P energy: -17.316
tors. eta vs tors. theta energy: -28.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -387.506226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.506226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.506226 (E_RNA)
where:
Base-Base interactions energy: -238.804
where: short stacking energy: -103.799
Base-Backbone interact. energy: -0.653
local terms energy: -148.049756
where:
bonds (distance) C4'-P energy: -31.686
bonds (distance) P-C4' energy: -32.357
flat angles C4'-P-C4' energy: -31.243
flat angles P-C4'-P energy: -24.895
tors. eta vs tors. theta energy: -27.868
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: 2
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -359.483687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.483687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.483687 (E_RNA)
where:
Base-Base interactions energy: -232.455
where: short stacking energy: -108.483
Base-Backbone interact. energy: -0.547
local terms energy: -126.481758
where:
bonds (distance) C4'-P energy: -31.091
bonds (distance) P-C4' energy: -30.555
flat angles C4'-P-C4' energy: -34.175
flat angles P-C4'-P energy: -8.213
tors. eta vs tors. theta energy: -22.448
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: 8
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -331.746454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.746454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.746454 (E_RNA)
where:
Base-Base interactions energy: -212.253
where: short stacking energy: -114.864
Base-Backbone interact. energy: -0.287
local terms energy: -119.206496
where:
bonds (distance) C4'-P energy: -26.899
bonds (distance) P-C4' energy: -22.239
flat angles C4'-P-C4' energy: -29.464
flat angles P-C4'-P energy: -19.996
tors. eta vs tors. theta energy: -20.608
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: 1
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -308.336372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.336372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.336372 (E_RNA)
where:
Base-Base interactions energy: -185.303
where: short stacking energy: -92.130
Base-Backbone interact. energy: -0.827
local terms energy: -122.205387
where:
bonds (distance) C4'-P energy: -29.903
bonds (distance) P-C4' energy: -31.348
flat angles C4'-P-C4' energy: -24.636
flat angles P-C4'-P energy: -18.054
tors. eta vs tors. theta energy: -18.264
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: 7
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -198.189638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.189638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.189638 (E_RNA)
where:
Base-Base interactions energy: -104.000
where: short stacking energy: -63.890
Base-Backbone interact. energy: 0.442
local terms energy: -94.631886
where:
bonds (distance) C4'-P energy: -30.469
bonds (distance) P-C4' energy: -30.624
flat angles C4'-P-C4' energy: -28.157
flat angles P-C4'-P energy: -8.129
tors. eta vs tors. theta energy: 2.747
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: 1, replica: 5
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -563.009470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.009470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.009470 (E_RNA)
where:
Base-Base interactions energy: -373.746
where: short stacking energy: -191.666
Base-Backbone interact. energy: -0.398
local terms energy: -188.865714
where:
bonds (distance) C4'-P energy: -29.905
bonds (distance) P-C4' energy: -36.258
flat angles C4'-P-C4' energy: -40.097
flat angles P-C4'-P energy: -27.197
tors. eta vs tors. theta energy: -55.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -513.741737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.741737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.741737 (E_RNA)
where:
Base-Base interactions energy: -350.133
where: short stacking energy: -149.715
Base-Backbone interact. energy: -0.972
local terms energy: -162.637564
where:
bonds (distance) C4'-P energy: -34.427
bonds (distance) P-C4' energy: -33.993
flat angles C4'-P-C4' energy: -33.958
flat angles P-C4'-P energy: -19.256
tors. eta vs tors. theta energy: -41.003
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: 10
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -490.992037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.992037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.992037 (E_RNA)
where:
Base-Base interactions energy: -335.029
where: short stacking energy: -140.730
Base-Backbone interact. energy: -1.251
local terms energy: -154.711969
where:
bonds (distance) C4'-P energy: -35.436
bonds (distance) P-C4' energy: -38.816
flat angles C4'-P-C4' energy: -29.761
flat angles P-C4'-P energy: -23.205
tors. eta vs tors. theta energy: -27.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -485.104761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.104761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.104761 (E_RNA)
where:
Base-Base interactions energy: -329.939
where: short stacking energy: -157.452
Base-Backbone interact. energy: -1.840
local terms energy: -153.325618
where:
bonds (distance) C4'-P energy: -28.610
bonds (distance) P-C4' energy: -28.825
flat angles C4'-P-C4' energy: -34.461
flat angles P-C4'-P energy: -23.846
tors. eta vs tors. theta energy: -37.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -402.280727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.280727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.280727 (E_RNA)
where:
Base-Base interactions energy: -261.004
where: short stacking energy: -125.944
Base-Backbone interact. energy: -0.328
local terms energy: -140.948501
where:
bonds (distance) C4'-P energy: -21.397
bonds (distance) P-C4' energy: -36.817
flat angles C4'-P-C4' energy: -34.278
flat angles P-C4'-P energy: -24.532
tors. eta vs tors. theta energy: -23.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -344.505879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.505879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.505879 (E_RNA)
where:
Base-Base interactions energy: -211.619
where: short stacking energy: -110.477
Base-Backbone interact. energy: -0.427
local terms energy: -132.460423
where:
bonds (distance) C4'-P energy: -29.762
bonds (distance) P-C4' energy: -30.116
flat angles C4'-P-C4' energy: -31.927
flat angles P-C4'-P energy: -13.380
tors. eta vs tors. theta energy: -27.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -350.574955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.574955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.574955 (E_RNA)
where:
Base-Base interactions energy: -209.895
where: short stacking energy: -105.836
Base-Backbone interact. energy: 0.203
local terms energy: -140.883133
where:
bonds (distance) C4'-P energy: -38.095
bonds (distance) P-C4' energy: -31.010
flat angles C4'-P-C4' energy: -28.667
flat angles P-C4'-P energy: -21.906
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: 8, replica: 2
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -350.397867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.397867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.397867 (E_RNA)
where:
Base-Base interactions energy: -213.999
where: short stacking energy: -102.600
Base-Backbone interact. energy: -0.616
local terms energy: -135.783380
where:
bonds (distance) C4'-P energy: -23.710
bonds (distance) P-C4' energy: -34.749
flat angles C4'-P-C4' energy: -31.010
flat angles P-C4'-P energy: -23.530
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: 9, replica: 7
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -218.235415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.235415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.235415 (E_RNA)
where:
Base-Base interactions energy: -104.576
where: short stacking energy: -62.046
Base-Backbone interact. energy: -0.620
local terms energy: -113.039220
where:
bonds (distance) C4'-P energy: -30.992
bonds (distance) P-C4' energy: -30.491
flat angles C4'-P-C4' energy: -28.021
flat angles P-C4'-P energy: -20.696
tors. eta vs tors. theta energy: -2.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -277.404109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.404109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.404109 (E_RNA)
where:
Base-Base interactions energy: -167.717
where: short stacking energy: -77.927
Base-Backbone interact. energy: 0.060
local terms energy: -109.746726
where:
bonds (distance) C4'-P energy: -28.205
bonds (distance) P-C4' energy: -36.324
flat angles C4'-P-C4' energy: -19.536
flat angles P-C4'-P energy: -15.072
tors. eta vs tors. theta energy: -10.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -561.149487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.149487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.149487 (E_RNA)
where:
Base-Base interactions energy: -367.064
where: short stacking energy: -193.724
Base-Backbone interact. energy: -0.119
local terms energy: -193.967259
where:
bonds (distance) C4'-P energy: -31.769
bonds (distance) P-C4' energy: -40.889
flat angles C4'-P-C4' energy: -36.946
flat angles P-C4'-P energy: -28.881
tors. eta vs tors. theta energy: -55.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -529.908261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.908261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.908261 (E_RNA)
where:
Base-Base interactions energy: -356.265
where: short stacking energy: -157.542
Base-Backbone interact. energy: -0.413
local terms energy: -173.229473
where:
bonds (distance) C4'-P energy: -36.807
bonds (distance) P-C4' energy: -34.559
flat angles C4'-P-C4' energy: -38.886
flat angles P-C4'-P energy: -22.941
tors. eta vs tors. theta energy: -40.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -488.088102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.088102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.088102 (E_RNA)
where:
Base-Base interactions energy: -332.742
where: short stacking energy: -136.125
Base-Backbone interact. energy: -0.718
local terms energy: -154.628485
where:
bonds (distance) C4'-P energy: -34.398
bonds (distance) P-C4' energy: -32.786
flat angles C4'-P-C4' energy: -37.582
flat angles P-C4'-P energy: -21.196
tors. eta vs tors. theta energy: -28.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -501.468177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.468177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.468177 (E_RNA)
where:
Base-Base interactions energy: -338.972
where: short stacking energy: -160.238
Base-Backbone interact. energy: 2.191
local terms energy: -164.687565
where:
bonds (distance) C4'-P energy: -32.089
bonds (distance) P-C4' energy: -34.917
flat angles C4'-P-C4' energy: -37.035
flat angles P-C4'-P energy: -18.346
tors. eta vs tors. theta energy: -42.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -388.974773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.974773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.974773 (E_RNA)
where:
Base-Base interactions energy: -249.430
where: short stacking energy: -130.838
Base-Backbone interact. energy: -0.242
local terms energy: -139.302820
where:
bonds (distance) C4'-P energy: -23.076
bonds (distance) P-C4' energy: -34.457
flat angles C4'-P-C4' energy: -34.433
flat angles P-C4'-P energy: -20.331
tors. eta vs tors. theta energy: -27.005
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: 8
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -344.430439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.430439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.430439 (E_RNA)
where:
Base-Base interactions energy: -212.174
where: short stacking energy: -96.429
Base-Backbone interact. energy: -2.135
local terms energy: -130.122107
where:
bonds (distance) C4'-P energy: -31.628
bonds (distance) P-C4' energy: -32.496
flat angles C4'-P-C4' energy: -27.570
flat angles P-C4'-P energy: -20.481
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: 7, replica: 3
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -354.617200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.617200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.617200 (E_RNA)
where:
Base-Base interactions energy: -216.796
where: short stacking energy: -115.372
Base-Backbone interact. energy: 0.298
local terms energy: -138.118830
where:
bonds (distance) C4'-P energy: -24.651
bonds (distance) P-C4' energy: -34.982
flat angles C4'-P-C4' energy: -34.012
flat angles P-C4'-P energy: -22.684
tors. eta vs tors. theta energy: -21.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -350.639861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.639861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.639861 (E_RNA)
where:
Base-Base interactions energy: -224.241
where: short stacking energy: -107.927
Base-Backbone interact. energy: 4.657
local terms energy: -131.055714
where:
bonds (distance) C4'-P energy: -26.358
bonds (distance) P-C4' energy: -30.913
flat angles C4'-P-C4' energy: -33.223
flat angles P-C4'-P energy: -14.860
tors. eta vs tors. theta energy: -25.703
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: 9, replica: 7
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -232.570344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.570344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.570344 (E_RNA)
where:
Base-Base interactions energy: -125.086
where: short stacking energy: -84.948
Base-Backbone interact. energy: -0.171
local terms energy: -107.313319
where:
bonds (distance) C4'-P energy: -32.018
bonds (distance) P-C4' energy: -31.727
flat angles C4'-P-C4' energy: -23.019
flat angles P-C4'-P energy: -12.625
tors. eta vs tors. theta energy: -7.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -275.318793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.318793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.318793 (E_RNA)
where:
Base-Base interactions energy: -169.239
where: short stacking energy: -83.663
Base-Backbone interact. energy: 1.055
local terms energy: -107.135024
where:
bonds (distance) C4'-P energy: -30.200
bonds (distance) P-C4' energy: -33.528
flat angles C4'-P-C4' energy: -22.539
flat angles P-C4'-P energy: -14.569
tors. eta vs tors. theta energy: -6.300
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: 5
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -558.557210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.557210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.557210 (E_RNA)
where:
Base-Base interactions energy: -374.633
where: short stacking energy: -195.523
Base-Backbone interact. energy: -0.241
local terms energy: -183.683324
where:
bonds (distance) C4'-P energy: -31.351
bonds (distance) P-C4' energy: -36.851
flat angles C4'-P-C4' energy: -36.334
flat angles P-C4'-P energy: -23.769
tors. eta vs tors. theta energy: -55.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -538.394280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.394280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.394280 (E_RNA)
where:
Base-Base interactions energy: -360.847
where: short stacking energy: -163.901
Base-Backbone interact. energy: -1.587
local terms energy: -175.960764
where:
bonds (distance) C4'-P energy: -29.763
bonds (distance) P-C4' energy: -35.570
flat angles C4'-P-C4' energy: -37.084
flat angles P-C4'-P energy: -30.676
tors. eta vs tors. theta energy: -42.868
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: 9
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -500.616467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.616467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.616467 (E_RNA)
where:
Base-Base interactions energy: -348.126
where: short stacking energy: -139.479
Base-Backbone interact. energy: -0.620
local terms energy: -151.870661
where:
bonds (distance) C4'-P energy: -24.796
bonds (distance) P-C4' energy: -36.374
flat angles C4'-P-C4' energy: -36.461
flat angles P-C4'-P energy: -22.680
tors. eta vs tors. theta energy: -31.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -467.532032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.532032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.532032 (E_RNA)
where:
Base-Base interactions energy: -325.916
where: short stacking energy: -132.688
Base-Backbone interact. energy: -0.618
local terms energy: -140.997913
where:
bonds (distance) C4'-P energy: -35.169
bonds (distance) P-C4' energy: -35.506
flat angles C4'-P-C4' energy: -25.634
flat angles P-C4'-P energy: -15.728
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: 5, replica: 4
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -408.832186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.832186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.832186 (E_RNA)
where:
Base-Base interactions energy: -257.298
where: short stacking energy: -133.394
Base-Backbone interact. energy: -0.144
local terms energy: -151.390998
where:
bonds (distance) C4'-P energy: -26.090
bonds (distance) P-C4' energy: -35.236
flat angles C4'-P-C4' energy: -37.140
flat angles P-C4'-P energy: -19.262
tors. eta vs tors. theta energy: -33.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -339.504142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.504142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.504142 (E_RNA)
where:
Base-Base interactions energy: -199.168
where: short stacking energy: -108.965
Base-Backbone interact. energy: 3.715
local terms energy: -144.050639
where:
bonds (distance) C4'-P energy: -30.833
bonds (distance) P-C4' energy: -32.306
flat angles C4'-P-C4' energy: -36.644
flat angles P-C4'-P energy: -18.593
tors. eta vs tors. theta energy: -25.675
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: 7, replica: 3
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -361.618507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.618507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.618507 (E_RNA)
where:
Base-Base interactions energy: -221.811
where: short stacking energy: -112.801
Base-Backbone interact. energy: -0.550
local terms energy: -139.257884
where:
bonds (distance) C4'-P energy: -32.357
bonds (distance) P-C4' energy: -30.640
flat angles C4'-P-C4' energy: -29.369
flat angles P-C4'-P energy: -20.389
tors. eta vs tors. theta energy: -26.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -323.145364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.145364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.145364 (E_RNA)
where:
Base-Base interactions energy: -208.134
where: short stacking energy: -105.993
Base-Backbone interact. energy: -0.296
local terms energy: -114.715018
where:
bonds (distance) C4'-P energy: -21.805
bonds (distance) P-C4' energy: -30.263
flat angles C4'-P-C4' energy: -23.554
flat angles P-C4'-P energy: -25.148
tors. eta vs tors. theta energy: -13.944
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: 9, replica: 1
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -300.637941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.637941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.637941 (E_RNA)
where:
Base-Base interactions energy: -182.921
where: short stacking energy: -85.697
Base-Backbone interact. energy: -0.520
local terms energy: -117.196410
where:
bonds (distance) C4'-P energy: -21.421
bonds (distance) P-C4' energy: -33.529
flat angles C4'-P-C4' energy: -36.250
flat angles P-C4'-P energy: -16.590
tors. eta vs tors. theta energy: -9.406
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: 7
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -217.249464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.249464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.249464 (E_RNA)
where:
Base-Base interactions energy: -116.618
where: short stacking energy: -73.722
Base-Backbone interact. energy: -0.159
local terms energy: -100.472551
where:
bonds (distance) C4'-P energy: -24.891
bonds (distance) P-C4' energy: -29.472
flat angles C4'-P-C4' energy: -23.212
flat angles P-C4'-P energy: -12.631
tors. eta vs tors. theta energy: -10.266
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: 5
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -553.861468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.861468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.861468 (E_RNA)
where:
Base-Base interactions energy: -366.682
where: short stacking energy: -185.325
Base-Backbone interact. energy: -0.005
local terms energy: -187.174091
where:
bonds (distance) C4'-P energy: -31.732
bonds (distance) P-C4' energy: -36.586
flat angles C4'-P-C4' energy: -36.956
flat angles P-C4'-P energy: -25.963
tors. eta vs tors. theta energy: -55.938
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: 6
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -529.430192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.430192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.430192 (E_RNA)
where:
Base-Base interactions energy: -349.176
where: short stacking energy: -159.026
Base-Backbone interact. energy: 0.245
local terms energy: -180.499657
where:
bonds (distance) C4'-P energy: -36.658
bonds (distance) P-C4' energy: -34.506
flat angles C4'-P-C4' energy: -40.388
flat angles P-C4'-P energy: -27.357
tors. eta vs tors. theta energy: -41.590
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: 235
Temperature: 1.000000
Total energy: -512.563347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.563347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.563347 (E_RNA)
where:
Base-Base interactions energy: -355.172
where: short stacking energy: -157.656
Base-Backbone interact. energy: 0.251
local terms energy: -157.641929
where:
bonds (distance) C4'-P energy: -33.363
bonds (distance) P-C4' energy: -29.900
flat angles C4'-P-C4' energy: -33.154
flat angles P-C4'-P energy: -22.752
tors. eta vs tors. theta energy: -38.472
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: 10
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -455.826915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.826915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.826915 (E_RNA)
where:
Base-Base interactions energy: -310.842
where: short stacking energy: -127.949
Base-Backbone interact. energy: -1.110
local terms energy: -143.875183
where:
bonds (distance) C4'-P energy: -26.958
bonds (distance) P-C4' energy: -35.166
flat angles C4'-P-C4' energy: -33.338
flat angles P-C4'-P energy: -12.776
tors. eta vs tors. theta energy: -35.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -407.968497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.968497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.968497 (E_RNA)
where:
Base-Base interactions energy: -260.305
where: short stacking energy: -134.720
Base-Backbone interact. energy: -0.194
local terms energy: -147.469455
where:
bonds (distance) C4'-P energy: -32.671
bonds (distance) P-C4' energy: -31.302
flat angles C4'-P-C4' energy: -29.897
flat angles P-C4'-P energy: -26.149
tors. eta vs tors. theta energy: -27.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -335.050555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.050555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.050555 (E_RNA)
where:
Base-Base interactions energy: -195.296
where: short stacking energy: -99.859
Base-Backbone interact. energy: -0.519
local terms energy: -139.235469
where:
bonds (distance) C4'-P energy: -30.052
bonds (distance) P-C4' energy: -40.748
flat angles C4'-P-C4' energy: -32.613
flat angles P-C4'-P energy: -16.978
tors. eta vs tors. theta energy: -18.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -347.928770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.928770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.928770 (E_RNA)
where:
Base-Base interactions energy: -212.454
where: short stacking energy: -106.247
Base-Backbone interact. energy: -0.336
local terms energy: -135.138087
where:
bonds (distance) C4'-P energy: -30.215
bonds (distance) P-C4' energy: -32.370
flat angles C4'-P-C4' energy: -34.112
flat angles P-C4'-P energy: -19.744
tors. eta vs tors. theta energy: -18.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -335.584588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.584588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.584588 (E_RNA)
where:
Base-Base interactions energy: -211.117
where: short stacking energy: -88.456
Base-Backbone interact. energy: -1.351
local terms energy: -123.117065
where:
bonds (distance) C4'-P energy: -31.645
bonds (distance) P-C4' energy: -36.099
flat angles C4'-P-C4' energy: -22.861
flat angles P-C4'-P energy: -16.599
tors. eta vs tors. theta energy: -15.914
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: 9, replica: 1
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -306.991932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.991932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.991932 (E_RNA)
where:
Base-Base interactions energy: -191.897
where: short stacking energy: -110.906
Base-Backbone interact. energy: 3.560
local terms energy: -118.655044
where:
bonds (distance) C4'-P energy: -20.686
bonds (distance) P-C4' energy: -29.728
flat angles C4'-P-C4' energy: -32.377
flat angles P-C4'-P energy: -13.065
tors. eta vs tors. theta energy: -22.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -214.973528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.973528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.973528 (E_RNA)
where:
Base-Base interactions energy: -96.885
where: short stacking energy: -56.477
Base-Backbone interact. energy: 1.345
local terms energy: -119.433767
where:
bonds (distance) C4'-P energy: -30.503
bonds (distance) P-C4' energy: -27.401
flat angles C4'-P-C4' energy: -29.312
flat angles P-C4'-P energy: -23.686
tors. eta vs tors. theta energy: -8.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -554.241884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.241884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.241884 (E_RNA)
where:
Base-Base interactions energy: -356.693
where: short stacking energy: -178.805
Base-Backbone interact. energy: -0.663
local terms energy: -196.885785
where:
bonds (distance) C4'-P energy: -38.964
bonds (distance) P-C4' energy: -37.983
flat angles C4'-P-C4' energy: -39.563
flat angles P-C4'-P energy: -26.498
tors. eta vs tors. theta energy: -53.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -533.315009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.315009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.315009 (E_RNA)
where:
Base-Base interactions energy: -356.756
where: short stacking energy: -157.671
Base-Backbone interact. energy: -0.719
local terms energy: -175.839846
where:
bonds (distance) C4'-P energy: -33.480
bonds (distance) P-C4' energy: -39.155
flat angles C4'-P-C4' energy: -36.656
flat angles P-C4'-P energy: -26.235
tors. eta vs tors. theta energy: -40.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -516.103668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.103668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.103668 (E_RNA)
where:
Base-Base interactions energy: -350.777
where: short stacking energy: -154.456
Base-Backbone interact. energy: -1.110
local terms energy: -164.217260
where:
bonds (distance) C4'-P energy: -31.273
bonds (distance) P-C4' energy: -31.265
flat angles C4'-P-C4' energy: -35.591
flat angles P-C4'-P energy: -27.962
tors. eta vs tors. theta energy: -38.126
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: 10
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -457.958886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.958886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.958886 (E_RNA)
where:
Base-Base interactions energy: -297.873
where: short stacking energy: -119.948
Base-Backbone interact. energy: -0.378
local terms energy: -159.707468
where:
bonds (distance) C4'-P energy: -30.084
bonds (distance) P-C4' energy: -37.993
flat angles C4'-P-C4' energy: -36.386
flat angles P-C4'-P energy: -26.753
tors. eta vs tors. theta energy: -28.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -373.122561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.122561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.122561 (E_RNA)
where:
Base-Base interactions energy: -215.555
where: short stacking energy: -106.320
Base-Backbone interact. energy: 1.693
local terms energy: -159.260512
where:
bonds (distance) C4'-P energy: -36.401
bonds (distance) P-C4' energy: -38.300
flat angles C4'-P-C4' energy: -35.645
flat angles P-C4'-P energy: -31.628
tors. eta vs tors. theta energy: -17.288
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: 4
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -375.307034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.307034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.307034 (E_RNA)
where:
Base-Base interactions energy: -239.011
where: short stacking energy: -112.833
Base-Backbone interact. energy: -1.328
local terms energy: -134.967692
where:
bonds (distance) C4'-P energy: -18.786
bonds (distance) P-C4' energy: -32.174
flat angles C4'-P-C4' energy: -33.611
flat angles P-C4'-P energy: -22.764
tors. eta vs tors. theta energy: -27.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -345.069298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.069298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.069298 (E_RNA)
where:
Base-Base interactions energy: -201.295
where: short stacking energy: -102.267
Base-Backbone interact. energy: 1.572
local terms energy: -145.346258
where:
bonds (distance) C4'-P energy: -31.070
bonds (distance) P-C4' energy: -29.196
flat angles C4'-P-C4' energy: -37.139
flat angles P-C4'-P energy: -26.649
tors. eta vs tors. theta energy: -21.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -326.278726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.278726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.278726 (E_RNA)
where:
Base-Base interactions energy: -187.629
where: short stacking energy: -100.306
Base-Backbone interact. energy: -0.138
local terms energy: -138.512259
where:
bonds (distance) C4'-P energy: -28.438
bonds (distance) P-C4' energy: -32.308
flat angles C4'-P-C4' energy: -37.332
flat angles P-C4'-P energy: -19.271
tors. eta vs tors. theta energy: -21.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -296.863357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.863357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.863357 (E_RNA)
where:
Base-Base interactions energy: -182.834
where: short stacking energy: -87.217
Base-Backbone interact. energy: 3.492
local terms energy: -117.521529
where:
bonds (distance) C4'-P energy: -29.819
bonds (distance) P-C4' energy: -31.540
flat angles C4'-P-C4' energy: -28.628
flat angles P-C4'-P energy: -14.087
tors. eta vs tors. theta energy: -13.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -231.773926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.773926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.773926 (E_RNA)
where:
Base-Base interactions energy: -126.808
where: short stacking energy: -84.608
Base-Backbone interact. energy: 2.052
local terms energy: -107.018412
where:
bonds (distance) C4'-P energy: -25.018
bonds (distance) P-C4' energy: -34.094
flat angles C4'-P-C4' energy: -28.105
flat angles P-C4'-P energy: -12.899
tors. eta vs tors. theta energy: -6.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -566.480031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.480031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.480031 (E_RNA)
where:
Base-Base interactions energy: -371.553
where: short stacking energy: -191.477
Base-Backbone interact. energy: 1.625
local terms energy: -196.551887
where:
bonds (distance) C4'-P energy: -33.603
bonds (distance) P-C4' energy: -32.859
flat angles C4'-P-C4' energy: -41.815
flat angles P-C4'-P energy: -32.707
tors. eta vs tors. theta energy: -55.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -533.716277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.716277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.716277 (E_RNA)
where:
Base-Base interactions energy: -358.477
where: short stacking energy: -160.494
Base-Backbone interact. energy: -0.878
local terms energy: -174.361542
where:
bonds (distance) C4'-P energy: -32.419
bonds (distance) P-C4' energy: -32.559
flat angles C4'-P-C4' energy: -42.702
flat angles P-C4'-P energy: -26.657
tors. eta vs tors. theta energy: -40.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -528.451527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.451527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.451527 (E_RNA)
where:
Base-Base interactions energy: -351.653
where: short stacking energy: -166.559
Base-Backbone interact. energy: -0.240
local terms energy: -176.558227
where:
bonds (distance) C4'-P energy: -34.108
bonds (distance) P-C4' energy: -38.841
flat angles C4'-P-C4' energy: -39.836
flat angles P-C4'-P energy: -20.068
tors. eta vs tors. theta energy: -43.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -477.057977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.057977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.057977 (E_RNA)
where:
Base-Base interactions energy: -324.712
where: short stacking energy: -134.093
Base-Backbone interact. energy: 0.995
local terms energy: -153.340785
where:
bonds (distance) C4'-P energy: -34.718
bonds (distance) P-C4' energy: -33.305
flat angles C4'-P-C4' energy: -33.105
flat angles P-C4'-P energy: -17.573
tors. eta vs tors. theta energy: -34.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -371.680871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.680871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.680871 (E_RNA)
where:
Base-Base interactions energy: -230.031
where: short stacking energy: -118.929
Base-Backbone interact. energy: -0.650
local terms energy: -140.999997
where:
bonds (distance) C4'-P energy: -34.980
bonds (distance) P-C4' energy: -39.191
flat angles C4'-P-C4' energy: -29.091
flat angles P-C4'-P energy: -15.061
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: 6, replica: 4
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -370.626135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.626135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.626135 (E_RNA)
where:
Base-Base interactions energy: -243.203
where: short stacking energy: -119.559
Base-Backbone interact. energy: -0.251
local terms energy: -127.171799
where:
bonds (distance) C4'-P energy: -22.866
bonds (distance) P-C4' energy: -31.420
flat angles C4'-P-C4' energy: -33.175
flat angles P-C4'-P energy: -19.867
tors. eta vs tors. theta energy: -19.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -350.391682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.391682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.391682 (E_RNA)
where:
Base-Base interactions energy: -208.926
where: short stacking energy: -113.866
Base-Backbone interact. energy: 1.862
local terms energy: -143.327634
where:
bonds (distance) C4'-P energy: -32.108
bonds (distance) P-C4' energy: -34.563
flat angles C4'-P-C4' energy: -33.083
flat angles P-C4'-P energy: -22.622
tors. eta vs tors. theta energy: -20.952
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: 8
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -340.846823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.846823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.846823 (E_RNA)
where:
Base-Base interactions energy: -211.029
where: short stacking energy: -107.990
Base-Backbone interact. energy: -0.340
local terms energy: -129.477594
where:
bonds (distance) C4'-P energy: -30.276
bonds (distance) P-C4' energy: -29.791
flat angles C4'-P-C4' energy: -36.144
flat angles P-C4'-P energy: -15.271
tors. eta vs tors. theta energy: -17.996
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: 1
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -304.971922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.971922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.971922 (E_RNA)
where:
Base-Base interactions energy: -182.716
where: short stacking energy: -92.113
Base-Backbone interact. energy: -0.764
local terms energy: -121.491141
where:
bonds (distance) C4'-P energy: -25.448
bonds (distance) P-C4' energy: -31.501
flat angles C4'-P-C4' energy: -27.394
flat angles P-C4'-P energy: -22.522
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: 7
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -222.272018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.272018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.272018 (E_RNA)
where:
Base-Base interactions energy: -117.796
where: short stacking energy: -66.895
Base-Backbone interact. energy: 0.101
local terms energy: -104.577126
where:
bonds (distance) C4'-P energy: -28.499
bonds (distance) P-C4' energy: -32.726
flat angles C4'-P-C4' energy: -24.653
flat angles P-C4'-P energy: -12.530
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: 6
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -548.663949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.663949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.663949 (E_RNA)
where:
Base-Base interactions energy: -374.910
where: short stacking energy: -166.827
Base-Backbone interact. energy: -0.751
local terms energy: -173.002768
where:
bonds (distance) C4'-P energy: -34.124
bonds (distance) P-C4' energy: -39.018
flat angles C4'-P-C4' energy: -33.188
flat angles P-C4'-P energy: -27.940
tors. eta vs tors. theta energy: -38.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -557.089003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.089003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.089003 (E_RNA)
where:
Base-Base interactions energy: -367.508
where: short stacking energy: -188.058
Base-Backbone interact. energy: -1.179
local terms energy: -188.401822
where:
bonds (distance) C4'-P energy: -27.902
bonds (distance) P-C4' energy: -37.432
flat angles C4'-P-C4' energy: -37.619
flat angles P-C4'-P energy: -30.658
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: 3, replica: 10
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -466.524136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.524136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.524136 (E_RNA)
where:
Base-Base interactions energy: -315.219
where: short stacking energy: -123.924
Base-Backbone interact. energy: 0.708
local terms energy: -152.013297
where:
bonds (distance) C4'-P energy: -35.805
bonds (distance) P-C4' energy: -29.160
flat angles C4'-P-C4' energy: -38.797
flat angles P-C4'-P energy: -17.288
tors. eta vs tors. theta energy: -30.964
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: 9
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -486.668471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.668471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.668471 (E_RNA)
where:
Base-Base interactions energy: -327.159
where: short stacking energy: -154.451
Base-Backbone interact. energy: 2.658
local terms energy: -162.167819
where:
bonds (distance) C4'-P energy: -30.430
bonds (distance) P-C4' energy: -30.264
flat angles C4'-P-C4' energy: -34.191
flat angles P-C4'-P energy: -28.092
tors. eta vs tors. theta energy: -39.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -375.608240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.608240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.608240 (E_RNA)
where:
Base-Base interactions energy: -238.486
where: short stacking energy: -118.205
Base-Backbone interact. energy: -1.254
local terms energy: -135.868447
where:
bonds (distance) C4'-P energy: -28.406
bonds (distance) P-C4' energy: -30.995
flat angles C4'-P-C4' energy: -37.216
flat angles P-C4'-P energy: -14.998
tors. eta vs tors. theta energy: -24.254
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: 6, replica: 4
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -373.384855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.384855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.384855 (E_RNA)
where:
Base-Base interactions energy: -237.263
where: short stacking energy: -110.541
Base-Backbone interact. energy: -0.959
local terms energy: -135.162354
where:
bonds (distance) C4'-P energy: -29.496
bonds (distance) P-C4' energy: -36.350
flat angles C4'-P-C4' energy: -32.177
flat angles P-C4'-P energy: -17.302
tors. eta vs tors. theta energy: -19.837
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: 8
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -318.474398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.474398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.474398 (E_RNA)
where:
Base-Base interactions energy: -202.305
where: short stacking energy: -98.104
Base-Backbone interact. energy: -1.432
local terms energy: -114.738089
where:
bonds (distance) C4'-P energy: -31.256
bonds (distance) P-C4' energy: -29.198
flat angles C4'-P-C4' energy: -25.946
flat angles P-C4'-P energy: -19.373
tors. eta vs tors. theta energy: -8.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -325.925660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.925660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.925660 (E_RNA)
where:
Base-Base interactions energy: -182.664
where: short stacking energy: -96.155
Base-Backbone interact. energy: 0.530
local terms energy: -143.791013
where:
bonds (distance) C4'-P energy: -35.192
bonds (distance) P-C4' energy: -36.296
flat angles C4'-P-C4' energy: -32.226
flat angles P-C4'-P energy: -21.766
tors. eta vs tors. theta energy: -18.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -295.637322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.637322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.637322 (E_RNA)
where:
Base-Base interactions energy: -170.506
where: short stacking energy: -85.905
Base-Backbone interact. energy: -0.190
local terms energy: -124.941308
where:
bonds (distance) C4'-P energy: -28.344
bonds (distance) P-C4' energy: -32.612
flat angles C4'-P-C4' energy: -28.895
flat angles P-C4'-P energy: -21.772
tors. eta vs tors. theta energy: -13.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -244.881147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.881147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.881147 (E_RNA)
where:
Base-Base interactions energy: -120.592
where: short stacking energy: -57.357
Base-Backbone interact. energy: 2.354
local terms energy: -126.643280
where:
bonds (distance) C4'-P energy: -30.656
bonds (distance) P-C4' energy: -33.148
flat angles C4'-P-C4' energy: -30.950
flat angles P-C4'-P energy: -19.719
tors. eta vs tors. theta energy: -12.171
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: 6
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -529.958987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.958987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.958987 (E_RNA)
where:
Base-Base interactions energy: -351.811
where: short stacking energy: -158.233
Base-Backbone interact. energy: -0.366
local terms energy: -177.781510
where:
bonds (distance) C4'-P energy: -32.124
bonds (distance) P-C4' energy: -37.229
flat angles C4'-P-C4' energy: -37.940
flat angles P-C4'-P energy: -28.874
tors. eta vs tors. theta energy: -41.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -563.337587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.337587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.337587 (E_RNA)
where:
Base-Base interactions energy: -371.785
where: short stacking energy: -197.277
Base-Backbone interact. energy: 1.093
local terms energy: -192.645218
where:
bonds (distance) C4'-P energy: -29.940
bonds (distance) P-C4' energy: -38.073
flat angles C4'-P-C4' energy: -37.253
flat angles P-C4'-P energy: -28.779
tors. eta vs tors. theta energy: -58.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -497.248880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.248880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.248880 (E_RNA)
where:
Base-Base interactions energy: -342.339
where: short stacking energy: -137.120
Base-Backbone interact. energy: -0.517
local terms energy: -154.392833
where:
bonds (distance) C4'-P energy: -34.749
bonds (distance) P-C4' energy: -32.538
flat angles C4'-P-C4' energy: -37.638
flat angles P-C4'-P energy: -16.137
tors. eta vs tors. theta energy: -33.331
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: 9
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -468.804780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.804780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.804780 (E_RNA)
where:
Base-Base interactions energy: -312.580
where: short stacking energy: -142.162
Base-Backbone interact. energy: -0.902
local terms energy: -155.322975
where:
bonds (distance) C4'-P energy: -33.383
bonds (distance) P-C4' energy: -30.104
flat angles C4'-P-C4' energy: -32.250
flat angles P-C4'-P energy: -26.561
tors. eta vs tors. theta energy: -33.024
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: 3
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -368.715138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.715138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.715138 (E_RNA)
where:
Base-Base interactions energy: -231.489
where: short stacking energy: -119.326
Base-Backbone interact. energy: 0.548
local terms energy: -137.774512
where:
bonds (distance) C4'-P energy: -27.348
bonds (distance) P-C4' energy: -32.073
flat angles C4'-P-C4' energy: -34.874
flat angles P-C4'-P energy: -20.081
tors. eta vs tors. theta energy: -23.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -352.930380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.930380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.930380 (E_RNA)
where:
Base-Base interactions energy: -213.202
where: short stacking energy: -117.643
Base-Backbone interact. energy: -0.257
local terms energy: -139.471321
where:
bonds (distance) C4'-P energy: -29.525
bonds (distance) P-C4' energy: -30.443
flat angles C4'-P-C4' energy: -31.257
flat angles P-C4'-P energy: -22.823
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: 7, replica: 4
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -391.870699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.870699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.870699 (E_RNA)
where:
Base-Base interactions energy: -255.315
where: short stacking energy: -123.055
Base-Backbone interact. energy: -0.406
local terms energy: -136.149244
where:
bonds (distance) C4'-P energy: -26.684
bonds (distance) P-C4' energy: -31.350
flat angles C4'-P-C4' energy: -23.726
flat angles P-C4'-P energy: -19.393
tors. eta vs tors. theta energy: -34.997
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: 2
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -325.087099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.087099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.087099 (E_RNA)
where:
Base-Base interactions energy: -202.164
where: short stacking energy: -94.439
Base-Backbone interact. energy: 0.586
local terms energy: -123.508880
where:
bonds (distance) C4'-P energy: -28.511
bonds (distance) P-C4' energy: -28.379
flat angles C4'-P-C4' energy: -28.816
flat angles P-C4'-P energy: -24.135
tors. eta vs tors. theta energy: -13.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -293.506150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.506150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.506150 (E_RNA)
where:
Base-Base interactions energy: -186.326
where: short stacking energy: -85.158
Base-Backbone interact. energy: 0.246
local terms energy: -107.426708
where:
bonds (distance) C4'-P energy: -27.959
bonds (distance) P-C4' energy: -21.427
flat angles C4'-P-C4' energy: -25.963
flat angles P-C4'-P energy: -21.136
tors. eta vs tors. theta energy: -10.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -232.721246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.721246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.721246 (E_RNA)
where:
Base-Base interactions energy: -131.552
where: short stacking energy: -70.741
Base-Backbone interact. energy: 1.431
local terms energy: -102.600568
where:
bonds (distance) C4'-P energy: -23.821
bonds (distance) P-C4' energy: -20.103
flat angles C4'-P-C4' energy: -34.395
flat angles P-C4'-P energy: -18.735
tors. eta vs tors. theta energy: -5.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -575.853791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.853791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.853791 (E_RNA)
where:
Base-Base interactions energy: -382.658
where: short stacking energy: -196.794
Base-Backbone interact. energy: -0.143
local terms energy: -193.052896
where:
bonds (distance) C4'-P energy: -34.668
bonds (distance) P-C4' energy: -35.498
flat angles C4'-P-C4' energy: -38.234
flat angles P-C4'-P energy: -27.781
tors. eta vs tors. theta energy: -56.873
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: 6
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -520.527821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.527821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.527821 (E_RNA)
where:
Base-Base interactions energy: -358.242
where: short stacking energy: -148.147
Base-Backbone interact. energy: -1.064
local terms energy: -161.221746
where:
bonds (distance) C4'-P energy: -29.063
bonds (distance) P-C4' energy: -33.834
flat angles C4'-P-C4' energy: -37.133
flat angles P-C4'-P energy: -23.882
tors. eta vs tors. theta energy: -37.310
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: 10
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -474.222867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.222867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.222867 (E_RNA)
where:
Base-Base interactions energy: -322.467
where: short stacking energy: -124.091
Base-Backbone interact. energy: 0.082
local terms energy: -151.837666
where:
bonds (distance) C4'-P energy: -29.249
bonds (distance) P-C4' energy: -37.295
flat angles C4'-P-C4' energy: -26.139
flat angles P-C4'-P energy: -26.741
tors. eta vs tors. theta energy: -32.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -450.262004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.262004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.262004 (E_RNA)
where:
Base-Base interactions energy: -298.987
where: short stacking energy: -141.053
Base-Backbone interact. energy: -1.101
local terms energy: -150.174115
where:
bonds (distance) C4'-P energy: -26.747
bonds (distance) P-C4' energy: -35.720
flat angles C4'-P-C4' energy: -27.686
flat angles P-C4'-P energy: -24.290
tors. eta vs tors. theta energy: -35.732
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: 240
Temperature: 1.100000
Total energy: -401.535117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.535117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.535117 (E_RNA)
where:
Base-Base interactions energy: -244.565
where: short stacking energy: -133.073
Base-Backbone interact. energy: -0.088
local terms energy: -156.882479
where:
bonds (distance) C4'-P energy: -32.075
bonds (distance) P-C4' energy: -31.368
flat angles C4'-P-C4' energy: -36.517
flat angles P-C4'-P energy: -23.358
tors. eta vs tors. theta energy: -33.565
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: 3
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -369.711187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.711187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.711187 (E_RNA)
where:
Base-Base interactions energy: -235.415
where: short stacking energy: -118.563
Base-Backbone interact. energy: -0.456
local terms energy: -133.839405
where:
bonds (distance) C4'-P energy: -22.951
bonds (distance) P-C4' energy: -29.665
flat angles C4'-P-C4' energy: -36.910
flat angles P-C4'-P energy: -15.839
tors. eta vs tors. theta energy: -28.473
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: 4
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -378.728679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.728679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.728679 (E_RNA)
where:
Base-Base interactions energy: -236.400
where: short stacking energy: -114.516
Base-Backbone interact. energy: -0.610
local terms energy: -141.719511
where:
bonds (distance) C4'-P energy: -25.670
bonds (distance) P-C4' energy: -36.822
flat angles C4'-P-C4' energy: -28.501
flat angles P-C4'-P energy: -23.234
tors. eta vs tors. theta energy: -27.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -314.455173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.455173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.455173 (E_RNA)
where:
Base-Base interactions energy: -186.876
where: short stacking energy: -84.739
Base-Backbone interact. energy: -1.134
local terms energy: -126.445010
where:
bonds (distance) C4'-P energy: -31.043
bonds (distance) P-C4' energy: -27.406
flat angles C4'-P-C4' energy: -33.448
flat angles P-C4'-P energy: -18.794
tors. eta vs tors. theta energy: -15.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -307.309146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.309146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.309146 (E_RNA)
where:
Base-Base interactions energy: -185.817
where: short stacking energy: -90.425
Base-Backbone interact. energy: -0.292
local terms energy: -121.200226
where:
bonds (distance) C4'-P energy: -23.720
bonds (distance) P-C4' energy: -28.307
flat angles C4'-P-C4' energy: -27.577
flat angles P-C4'-P energy: -22.255
tors. eta vs tors. theta energy: -19.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -216.106595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.106595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.106595 (E_RNA)
where:
Base-Base interactions energy: -107.605
where: short stacking energy: -61.892
Base-Backbone interact. energy: 0.859
local terms energy: -109.360285
where:
bonds (distance) C4'-P energy: -25.824
bonds (distance) P-C4' energy: -27.385
flat angles C4'-P-C4' energy: -31.391
flat angles P-C4'-P energy: -25.184
tors. eta vs tors. theta energy: 0.424
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: 5
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -581.430053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.430053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.430053 (E_RNA)
where:
Base-Base interactions energy: -376.285
where: short stacking energy: -192.737
Base-Backbone interact. energy: -0.049
local terms energy: -205.096154
where:
bonds (distance) C4'-P energy: -38.960
bonds (distance) P-C4' energy: -37.123
flat angles C4'-P-C4' energy: -40.876
flat angles P-C4'-P energy: -30.812
tors. eta vs tors. theta energy: -57.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -528.566341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.566341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.566341 (E_RNA)
where:
Base-Base interactions energy: -352.482
where: short stacking energy: -157.707
Base-Backbone interact. energy: -3.588
local terms energy: -172.496528
where:
bonds (distance) C4'-P energy: -29.703
bonds (distance) P-C4' energy: -37.884
flat angles C4'-P-C4' energy: -34.157
flat angles P-C4'-P energy: -29.102
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: 3, replica: 10
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -487.478199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.478199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.478199 (E_RNA)
where:
Base-Base interactions energy: -337.524
where: short stacking energy: -135.923
Base-Backbone interact. energy: -0.366
local terms energy: -149.587797
where:
bonds (distance) C4'-P energy: -32.672
bonds (distance) P-C4' energy: -27.274
flat angles C4'-P-C4' energy: -40.127
flat angles P-C4'-P energy: -18.325
tors. eta vs tors. theta energy: -31.191
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: 241
Temperature: 1.050000
Total energy: -411.133687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.133687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.133687 (E_RNA)
where:
Base-Base interactions energy: -262.011
where: short stacking energy: -122.000
Base-Backbone interact. energy: -0.799
local terms energy: -148.323270
where:
bonds (distance) C4'-P energy: -34.197
bonds (distance) P-C4' energy: -29.385
flat angles C4'-P-C4' energy: -28.212
flat angles P-C4'-P energy: -28.381
tors. eta vs tors. theta energy: -28.147
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: 5, replica: 9
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -436.570799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.570799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.570799 (E_RNA)
where:
Base-Base interactions energy: -291.915
where: short stacking energy: -130.610
Base-Backbone interact. energy: -0.362
local terms energy: -144.293780
where:
bonds (distance) C4'-P energy: -28.113
bonds (distance) P-C4' energy: -29.801
flat angles C4'-P-C4' energy: -33.397
flat angles P-C4'-P energy: -21.249
tors. eta vs tors. theta energy: -31.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -379.926907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.926907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.926907 (E_RNA)
where:
Base-Base interactions energy: -242.713
where: short stacking energy: -119.101
Base-Backbone interact. energy: -0.921
local terms energy: -136.292260
where:
bonds (distance) C4'-P energy: -31.491
bonds (distance) P-C4' energy: -25.380
flat angles C4'-P-C4' energy: -36.028
flat angles P-C4'-P energy: -20.693
tors. eta vs tors. theta energy: -22.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -332.395944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.395944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.395944 (E_RNA)
where:
Base-Base interactions energy: -194.199
where: short stacking energy: -101.746
Base-Backbone interact. energy: 0.192
local terms energy: -138.388199
where:
bonds (distance) C4'-P energy: -36.163
bonds (distance) P-C4' energy: -30.130
flat angles C4'-P-C4' energy: -27.252
flat angles P-C4'-P energy: -19.835
tors. eta vs tors. theta energy: -25.008
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: 1
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -327.610933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.610933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.610933 (E_RNA)
where:
Base-Base interactions energy: -197.716
where: short stacking energy: -84.726
Base-Backbone interact. energy: -0.470
local terms energy: -129.424397
where:
bonds (distance) C4'-P energy: -26.858
bonds (distance) P-C4' energy: -28.765
flat angles C4'-P-C4' energy: -35.651
flat angles P-C4'-P energy: -19.591
tors. eta vs tors. theta energy: -18.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -303.331622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.331622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.331622 (E_RNA)
where:
Base-Base interactions energy: -178.541
where: short stacking energy: -82.007
Base-Backbone interact. energy: -0.542
local terms energy: -124.248926
where:
bonds (distance) C4'-P energy: -34.065
bonds (distance) P-C4' energy: -35.421
flat angles C4'-P-C4' energy: -28.473
flat angles P-C4'-P energy: -17.261
tors. eta vs tors. theta energy: -9.029
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: 10, replica: 7
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -234.492440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.492440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.492440 (E_RNA)
where:
Base-Base interactions energy: -130.984
where: short stacking energy: -72.881
Base-Backbone interact. energy: -0.380
local terms energy: -103.128893
where:
bonds (distance) C4'-P energy: -29.490
bonds (distance) P-C4' energy: -29.143
flat angles C4'-P-C4' energy: -28.374
flat angles P-C4'-P energy: -7.660
tors. eta vs tors. theta energy: -8.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -577.412482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.412482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.412482 (E_RNA)
where:
Base-Base interactions energy: -385.604
where: short stacking energy: -185.841
Base-Backbone interact. energy: -0.488
local terms energy: -191.320130
where:
bonds (distance) C4'-P energy: -32.328
bonds (distance) P-C4' energy: -36.843
flat angles C4'-P-C4' energy: -40.719
flat angles P-C4'-P energy: -26.400
tors. eta vs tors. theta energy: -55.029
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: 6
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -541.907447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.907447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.907447 (E_RNA)
where:
Base-Base interactions energy: -354.302
where: short stacking energy: -156.600
Base-Backbone interact. energy: -0.467
local terms energy: -187.138666
where:
bonds (distance) C4'-P energy: -34.479
bonds (distance) P-C4' energy: -39.348
flat angles C4'-P-C4' energy: -38.267
flat angles P-C4'-P energy: -32.636
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: 3, replica: 10
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -477.607684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.607684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.607684 (E_RNA)
where:
Base-Base interactions energy: -328.501
where: short stacking energy: -132.486
Base-Backbone interact. energy: 0.380
local terms energy: -149.486726
where:
bonds (distance) C4'-P energy: -27.717
bonds (distance) P-C4' energy: -29.904
flat angles C4'-P-C4' energy: -38.943
flat angles P-C4'-P energy: -23.559
tors. eta vs tors. theta energy: -29.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -437.529623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.529623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.529623 (E_RNA)
where:
Base-Base interactions energy: -268.411
where: short stacking energy: -158.615
Base-Backbone interact. energy: -0.711
local terms energy: -168.407227
where:
bonds (distance) C4'-P energy: -31.193
bonds (distance) P-C4' energy: -32.633
flat angles C4'-P-C4' energy: -35.751
flat angles P-C4'-P energy: -23.085
tors. eta vs tors. theta energy: -45.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -451.155875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.155875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.155875 (E_RNA)
where:
Base-Base interactions energy: -311.420
where: short stacking energy: -138.907
Base-Backbone interact. energy: -1.608
local terms energy: -138.127717
where:
bonds (distance) C4'-P energy: -25.593
bonds (distance) P-C4' energy: -28.906
flat angles C4'-P-C4' energy: -31.758
flat angles P-C4'-P energy: -26.650
tors. eta vs tors. theta energy: -25.221
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: 4
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -361.597501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.597501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.597501 (E_RNA)
where:
Base-Base interactions energy: -232.176
where: short stacking energy: -116.734
Base-Backbone interact. energy: -0.650
local terms energy: -128.770766
where:
bonds (distance) C4'-P energy: -20.588
bonds (distance) P-C4' energy: -31.625
flat angles C4'-P-C4' energy: -30.593
flat angles P-C4'-P energy: -18.284
tors. eta vs tors. theta energy: -27.681
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: 3
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -321.449914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.449914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.449914 (E_RNA)
where:
Base-Base interactions energy: -200.509
where: short stacking energy: -86.422
Base-Backbone interact. energy: -0.557
local terms energy: -120.383617
where:
bonds (distance) C4'-P energy: -29.376
bonds (distance) P-C4' energy: -28.385
flat angles C4'-P-C4' energy: -34.328
flat angles P-C4'-P energy: -23.888
tors. eta vs tors. theta energy: -4.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -341.398196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.398196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.398196 (E_RNA)
where:
Base-Base interactions energy: -209.022
where: short stacking energy: -100.569
Base-Backbone interact. energy: 0.648
local terms energy: -133.024255
where:
bonds (distance) C4'-P energy: -27.096
bonds (distance) P-C4' energy: -34.298
flat angles C4'-P-C4' energy: -33.017
flat angles P-C4'-P energy: -18.433
tors. eta vs tors. theta energy: -20.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -240.603428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.603428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.603428 (E_RNA)
where:
Base-Base interactions energy: -125.042
where: short stacking energy: -76.135
Base-Backbone interact. energy: -0.340
local terms energy: -115.222003
where:
bonds (distance) C4'-P energy: -27.282
bonds (distance) P-C4' energy: -25.849
flat angles C4'-P-C4' energy: -28.366
flat angles P-C4'-P energy: -24.574
tors. eta vs tors. theta energy: -9.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -293.413420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.413420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.413420 (E_RNA)
where:
Base-Base interactions energy: -182.676
where: short stacking energy: -92.365
Base-Backbone interact. energy: -1.016
local terms energy: -109.721707
where:
bonds (distance) C4'-P energy: -28.673
bonds (distance) P-C4' energy: -34.267
flat angles C4'-P-C4' energy: -18.664
flat angles P-C4'-P energy: -7.287
tors. eta vs tors. theta energy: -20.831
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: 5
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -589.188050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.188050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.188050 (E_RNA)
where:
Base-Base interactions energy: -390.184
where: short stacking energy: -196.248
Base-Backbone interact. energy: -0.331
local terms energy: -198.672701
where:
bonds (distance) C4'-P energy: -33.588
bonds (distance) P-C4' energy: -40.344
flat angles C4'-P-C4' energy: -42.207
flat angles P-C4'-P energy: -24.173
tors. eta vs tors. theta energy: -58.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -544.031406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.031406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.031406 (E_RNA)
where:
Base-Base interactions energy: -367.889
where: short stacking energy: -173.135
Base-Backbone interact. energy: -1.478
local terms energy: -174.664228
where:
bonds (distance) C4'-P energy: -31.649
bonds (distance) P-C4' energy: -35.837
flat angles C4'-P-C4' energy: -38.407
flat angles P-C4'-P energy: -26.763
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: 3, replica: 10
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -475.517523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.517523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.517523 (E_RNA)
where:
Base-Base interactions energy: -316.896
where: short stacking energy: -139.390
Base-Backbone interact. energy: -0.728
local terms energy: -157.892819
where:
bonds (distance) C4'-P energy: -36.970
bonds (distance) P-C4' energy: -27.334
flat angles C4'-P-C4' energy: -33.508
flat angles P-C4'-P energy: -25.632
tors. eta vs tors. theta energy: -34.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -435.130991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.130991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.130991 (E_RNA)
where:
Base-Base interactions energy: -268.137
where: short stacking energy: -160.189
Base-Backbone interact. energy: -0.231
local terms energy: -166.762803
where:
bonds (distance) C4'-P energy: -33.282
bonds (distance) P-C4' energy: -34.134
flat angles C4'-P-C4' energy: -38.457
flat angles P-C4'-P energy: -20.862
tors. eta vs tors. theta energy: -40.028
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: 9
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -457.816469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.816469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.816469 (E_RNA)
where:
Base-Base interactions energy: -309.902
where: short stacking energy: -127.440
Base-Backbone interact. energy: 3.230
local terms energy: -151.144478
where:
bonds (distance) C4'-P energy: -34.702
bonds (distance) P-C4' energy: -34.961
flat angles C4'-P-C4' energy: -34.961
flat angles P-C4'-P energy: -17.783
tors. eta vs tors. theta energy: -28.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -413.951473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.951473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.951473 (E_RNA)
where:
Base-Base interactions energy: -262.059
where: short stacking energy: -120.325
Base-Backbone interact. energy: -0.878
local terms energy: -151.014145
where:
bonds (distance) C4'-P energy: -36.337
bonds (distance) P-C4' energy: -33.313
flat angles C4'-P-C4' energy: -36.523
flat angles P-C4'-P energy: -19.734
tors. eta vs tors. theta energy: -25.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -344.849385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.849385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.849385 (E_RNA)
where:
Base-Base interactions energy: -214.057
where: short stacking energy: -111.451
Base-Backbone interact. energy: 0.210
local terms energy: -131.002620
where:
bonds (distance) C4'-P energy: -30.780
bonds (distance) P-C4' energy: -27.004
flat angles C4'-P-C4' energy: -34.378
flat angles P-C4'-P energy: -18.823
tors. eta vs tors. theta energy: -20.018
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: 1
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -330.736234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.736234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.736234 (E_RNA)
where:
Base-Base interactions energy: -202.281
where: short stacking energy: -108.260
Base-Backbone interact. energy: 0.658
local terms energy: -129.112980
where:
bonds (distance) C4'-P energy: -32.029
bonds (distance) P-C4' energy: -34.452
flat angles C4'-P-C4' energy: -23.137
flat angles P-C4'-P energy: -16.740
tors. eta vs tors. theta energy: -22.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -232.071551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.071551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.071551 (E_RNA)
where:
Base-Base interactions energy: -120.104
where: short stacking energy: -65.485
Base-Backbone interact. energy: -0.884
local terms energy: -111.083867
where:
bonds (distance) C4'-P energy: -39.503
bonds (distance) P-C4' energy: -24.193
flat angles C4'-P-C4' energy: -29.973
flat angles P-C4'-P energy: -14.355
tors. eta vs tors. theta energy: -3.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -280.836567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.836567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.836567 (E_RNA)
where:
Base-Base interactions energy: -178.867
where: short stacking energy: -87.055
Base-Backbone interact. energy: 1.616
local terms energy: -103.584957
where:
bonds (distance) C4'-P energy: -23.619
bonds (distance) P-C4' energy: -25.158
flat angles C4'-P-C4' energy: -21.910
flat angles P-C4'-P energy: -17.064
tors. eta vs tors. theta energy: -15.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -586.658737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.658737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.658737 (E_RNA)
where:
Base-Base interactions energy: -390.055
where: short stacking energy: -195.360
Base-Backbone interact. energy: -0.127
local terms energy: -196.476130
where:
bonds (distance) C4'-P energy: -38.475
bonds (distance) P-C4' energy: -33.469
flat angles C4'-P-C4' energy: -41.539
flat angles P-C4'-P energy: -28.200
tors. eta vs tors. theta energy: -54.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -519.851262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.851262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.851262 (E_RNA)
where:
Base-Base interactions energy: -343.765
where: short stacking energy: -154.052
Base-Backbone interact. energy: 0.346
local terms energy: -176.432035
where:
bonds (distance) C4'-P energy: -36.605
bonds (distance) P-C4' energy: -38.536
flat angles C4'-P-C4' energy: -37.861
flat angles P-C4'-P energy: -23.377
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: 3, replica: 10
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -470.098862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.098862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.098862 (E_RNA)
where:
Base-Base interactions energy: -326.212
where: short stacking energy: -142.557
Base-Backbone interact. energy: -1.466
local terms energy: -142.420838
where:
bonds (distance) C4'-P energy: -32.348
bonds (distance) P-C4' energy: -30.231
flat angles C4'-P-C4' energy: -26.975
flat angles P-C4'-P energy: -21.683
tors. eta vs tors. theta energy: -31.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -416.471158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.471158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.471158 (E_RNA)
where:
Base-Base interactions energy: -250.258
where: short stacking energy: -130.153
Base-Backbone interact. energy: -1.339
local terms energy: -164.873647
where:
bonds (distance) C4'-P energy: -31.758
bonds (distance) P-C4' energy: -31.705
flat angles C4'-P-C4' energy: -35.615
flat angles P-C4'-P energy: -28.439
tors. eta vs tors. theta energy: -37.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -472.202549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.202549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.202549 (E_RNA)
where:
Base-Base interactions energy: -330.742
where: short stacking energy: -144.258
Base-Backbone interact. energy: 2.318
local terms energy: -143.778545
where:
bonds (distance) C4'-P energy: -22.555
bonds (distance) P-C4' energy: -31.487
flat angles C4'-P-C4' energy: -32.092
flat angles P-C4'-P energy: -17.877
tors. eta vs tors. theta energy: -39.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -400.412789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.412789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.412789 (E_RNA)
where:
Base-Base interactions energy: -264.621
where: short stacking energy: -117.136
Base-Backbone interact. energy: -1.006
local terms energy: -134.784870
where:
bonds (distance) C4'-P energy: -29.554
bonds (distance) P-C4' energy: -29.087
flat angles C4'-P-C4' energy: -35.174
flat angles P-C4'-P energy: -16.731
tors. eta vs tors. theta energy: -24.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -343.439250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.439250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.439250 (E_RNA)
where:
Base-Base interactions energy: -221.022
where: short stacking energy: -102.820
Base-Backbone interact. energy: -0.542
local terms energy: -121.875190
where:
bonds (distance) C4'-P energy: -21.572
bonds (distance) P-C4' energy: -32.150
flat angles C4'-P-C4' energy: -31.389
flat angles P-C4'-P energy: -17.221
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: 8, replica: 3
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -328.871094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.871094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.871094 (E_RNA)
where:
Base-Base interactions energy: -200.245
where: short stacking energy: -93.908
Base-Backbone interact. energy: 1.079
local terms energy: -129.705471
where:
bonds (distance) C4'-P energy: -33.123
bonds (distance) P-C4' energy: -32.952
flat angles C4'-P-C4' energy: -30.907
flat angles P-C4'-P energy: -19.022
tors. eta vs tors. theta energy: -13.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -300.229586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.229586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.229586 (E_RNA)
where:
Base-Base interactions energy: -176.978
where: short stacking energy: -91.652
Base-Backbone interact. energy: 0.522
local terms energy: -123.772725
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -34.804
flat angles C4'-P-C4' energy: -32.905
flat angles P-C4'-P energy: -19.831
tors. eta vs tors. theta energy: -15.830
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: 7
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -233.886520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.886520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.886520 (E_RNA)
where:
Base-Base interactions energy: -114.555
where: short stacking energy: -57.972
Base-Backbone interact. energy: -0.576
local terms energy: -118.754939
where:
bonds (distance) C4'-P energy: -30.113
bonds (distance) P-C4' energy: -36.328
flat angles C4'-P-C4' energy: -26.734
flat angles P-C4'-P energy: -13.189
tors. eta vs tors. theta energy: -12.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -568.278842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.278842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.278842 (E_RNA)
where:
Base-Base interactions energy: -373.779
where: short stacking energy: -188.457
Base-Backbone interact. energy: -0.231
local terms energy: -194.268816
where:
bonds (distance) C4'-P energy: -38.347
bonds (distance) P-C4' energy: -38.141
flat angles C4'-P-C4' energy: -36.383
flat angles P-C4'-P energy: -25.564
tors. eta vs tors. theta energy: -55.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -517.733107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.733107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.733107 (E_RNA)
where:
Base-Base interactions energy: -349.088
where: short stacking energy: -165.788
Base-Backbone interact. energy: -1.030
local terms energy: -167.615597
where:
bonds (distance) C4'-P energy: -33.844
bonds (distance) P-C4' energy: -39.945
flat angles C4'-P-C4' energy: -25.172
flat angles P-C4'-P energy: -23.054
tors. eta vs tors. theta energy: -45.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -484.067760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.067760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.067760 (E_RNA)
where:
Base-Base interactions energy: -324.384
where: short stacking energy: -142.646
Base-Backbone interact. energy: -0.320
local terms energy: -159.363781
where:
bonds (distance) C4'-P energy: -34.302
bonds (distance) P-C4' energy: -36.894
flat angles C4'-P-C4' energy: -35.310
flat angles P-C4'-P energy: -22.089
tors. eta vs tors. theta energy: -30.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -481.462373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.462373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.462373 (E_RNA)
where:
Base-Base interactions energy: -327.426
where: short stacking energy: -135.714
Base-Backbone interact. energy: -1.118
local terms energy: -152.918453
where:
bonds (distance) C4'-P energy: -26.491
bonds (distance) P-C4' energy: -34.490
flat angles C4'-P-C4' energy: -33.474
flat angles P-C4'-P energy: -21.742
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: 5, replica: 8
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -397.907029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.907029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.907029 (E_RNA)
where:
Base-Base interactions energy: -244.507
where: short stacking energy: -132.311
Base-Backbone interact. energy: 1.265
local terms energy: -154.665695
where:
bonds (distance) C4'-P energy: -36.479
bonds (distance) P-C4' energy: -32.190
flat angles C4'-P-C4' energy: -34.258
flat angles P-C4'-P energy: -17.607
tors. eta vs tors. theta energy: -34.131
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: 6, replica: 4
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -423.010013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.010013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.010013 (E_RNA)
where:
Base-Base interactions energy: -269.649
where: short stacking energy: -115.281
Base-Backbone interact. energy: -1.404
local terms energy: -151.956317
where:
bonds (distance) C4'-P energy: -28.369
bonds (distance) P-C4' energy: -37.419
flat angles C4'-P-C4' energy: -33.392
flat angles P-C4'-P energy: -25.872
tors. eta vs tors. theta energy: -26.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -329.777176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.777176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.777176 (E_RNA)
where:
Base-Base interactions energy: -200.693
where: short stacking energy: -95.572
Base-Backbone interact. energy: 0.603
local terms energy: -129.687665
where:
bonds (distance) C4'-P energy: -31.346
bonds (distance) P-C4' energy: -35.280
flat angles C4'-P-C4' energy: -21.731
flat angles P-C4'-P energy: -19.635
tors. eta vs tors. theta energy: -21.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -326.564203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.564203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.564203 (E_RNA)
where:
Base-Base interactions energy: -199.843
where: short stacking energy: -115.725
Base-Backbone interact. energy: 1.984
local terms energy: -128.705133
where:
bonds (distance) C4'-P energy: -21.286
bonds (distance) P-C4' energy: -34.373
flat angles C4'-P-C4' energy: -28.791
flat angles P-C4'-P energy: -18.391
tors. eta vs tors. theta energy: -25.864
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: 3
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -316.687468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.687468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.687468 (E_RNA)
where:
Base-Base interactions energy: -201.272
where: short stacking energy: -99.974
Base-Backbone interact. energy: -1.251
local terms energy: -114.164065
where:
bonds (distance) C4'-P energy: -23.100
bonds (distance) P-C4' energy: -29.758
flat angles C4'-P-C4' energy: -29.617
flat angles P-C4'-P energy: -16.259
tors. eta vs tors. theta energy: -15.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -216.652256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.652256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.652256 (E_RNA)
where:
Base-Base interactions energy: -111.853
where: short stacking energy: -68.005
Base-Backbone interact. energy: 2.028
local terms energy: -106.827398
where:
bonds (distance) C4'-P energy: -27.385
bonds (distance) P-C4' energy: -28.420
flat angles C4'-P-C4' energy: -29.082
flat angles P-C4'-P energy: -14.969
tors. eta vs tors. theta energy: -6.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -544.234599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.234599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.234599 (E_RNA)
where:
Base-Base interactions energy: -360.633
where: short stacking energy: -176.779
Base-Backbone interact. energy: -0.897
local terms energy: -182.705133
where:
bonds (distance) C4'-P energy: -34.231
bonds (distance) P-C4' energy: -38.571
flat angles C4'-P-C4' energy: -36.928
flat angles P-C4'-P energy: -25.183
tors. eta vs tors. theta energy: -47.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -548.916509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.916509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.916509 (E_RNA)
where:
Base-Base interactions energy: -369.912
where: short stacking energy: -184.343
Base-Backbone interact. energy: -0.105
local terms energy: -178.899446
where:
bonds (distance) C4'-P energy: -36.215
bonds (distance) P-C4' energy: -35.146
flat angles C4'-P-C4' energy: -32.284
flat angles P-C4'-P energy: -23.643
tors. eta vs tors. theta energy: -51.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -507.870596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.870596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.870596 (E_RNA)
where:
Base-Base interactions energy: -351.226
where: short stacking energy: -157.207
Base-Backbone interact. energy: -1.351
local terms energy: -155.293528
where:
bonds (distance) C4'-P energy: -27.708
bonds (distance) P-C4' energy: -36.270
flat angles C4'-P-C4' energy: -27.050
flat angles P-C4'-P energy: -22.691
tors. eta vs tors. theta energy: -41.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -461.541208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.541208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.541208 (E_RNA)
where:
Base-Base interactions energy: -310.732
where: short stacking energy: -134.618
Base-Backbone interact. energy: -0.880
local terms energy: -149.929408
where:
bonds (distance) C4'-P energy: -32.153
bonds (distance) P-C4' energy: -31.245
flat angles C4'-P-C4' energy: -29.198
flat angles P-C4'-P energy: -27.001
tors. eta vs tors. theta energy: -30.332
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: 4
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -454.825030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.825030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.825030 (E_RNA)
where:
Base-Base interactions energy: -297.953
where: short stacking energy: -131.147
Base-Backbone interact. energy: -0.954
local terms energy: -155.917441
where:
bonds (distance) C4'-P energy: -32.333
bonds (distance) P-C4' energy: -33.599
flat angles C4'-P-C4' energy: -36.722
flat angles P-C4'-P energy: -19.618
tors. eta vs tors. theta energy: -33.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -365.450517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.450517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.450517 (E_RNA)
where:
Base-Base interactions energy: -230.062
where: short stacking energy: -104.425
Base-Backbone interact. energy: -0.426
local terms energy: -134.962830
where:
bonds (distance) C4'-P energy: -33.550
bonds (distance) P-C4' energy: -28.347
flat angles C4'-P-C4' energy: -34.821
flat angles P-C4'-P energy: -21.681
tors. eta vs tors. theta energy: -16.565
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: 7, replica: 2
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -347.160530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.160530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.160530 (E_RNA)
where:
Base-Base interactions energy: -197.506
where: short stacking energy: -104.237
Base-Backbone interact. energy: 3.190
local terms energy: -152.844820
where:
bonds (distance) C4'-P energy: -35.792
bonds (distance) P-C4' energy: -33.596
flat angles C4'-P-C4' energy: -37.120
flat angles P-C4'-P energy: -18.243
tors. eta vs tors. theta energy: -28.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -313.701654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.701654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.701654 (E_RNA)
where:
Base-Base interactions energy: -187.484
where: short stacking energy: -98.071
Base-Backbone interact. energy: 2.722
local terms energy: -128.939364
where:
bonds (distance) C4'-P energy: -27.511
bonds (distance) P-C4' energy: -29.871
flat angles C4'-P-C4' energy: -34.259
flat angles P-C4'-P energy: -14.262
tors. eta vs tors. theta energy: -23.036
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: 3
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -315.830374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.830374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.830374 (E_RNA)
where:
Base-Base interactions energy: -209.526
where: short stacking energy: -103.388
Base-Backbone interact. energy: -0.958
local terms energy: -105.347024
where:
bonds (distance) C4'-P energy: -21.183
bonds (distance) P-C4' energy: -22.790
flat angles C4'-P-C4' energy: -31.149
flat angles P-C4'-P energy: -7.851
tors. eta vs tors. theta energy: -22.373
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: 7
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -226.773559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.773559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.773559 (E_RNA)
where:
Base-Base interactions energy: -116.362
where: short stacking energy: -65.725
Base-Backbone interact. energy: -0.834
local terms energy: -109.578152
where:
bonds (distance) C4'-P energy: -28.445
bonds (distance) P-C4' energy: -25.748
flat angles C4'-P-C4' energy: -28.332
flat angles P-C4'-P energy: -18.473
tors. eta vs tors. theta energy: -8.581
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: 6
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -539.402529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.402529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.402529 (E_RNA)
where:
Base-Base interactions energy: -357.569
where: short stacking energy: -166.703
Base-Backbone interact. energy: -1.356
local terms energy: -180.476829
where:
bonds (distance) C4'-P energy: -30.911
bonds (distance) P-C4' energy: -37.740
flat angles C4'-P-C4' energy: -38.132
flat angles P-C4'-P energy: -30.196
tors. eta vs tors. theta energy: -43.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -525.440426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.440426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.440426 (E_RNA)
where:
Base-Base interactions energy: -350.169
where: short stacking energy: -151.373
Base-Backbone interact. energy: -0.643
local terms energy: -174.627558
where:
bonds (distance) C4'-P energy: -35.234
bonds (distance) P-C4' energy: -33.655
flat angles C4'-P-C4' energy: -41.099
flat angles P-C4'-P energy: -20.175
tors. eta vs tors. theta energy: -44.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -547.986264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.986264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.986264 (E_RNA)
where:
Base-Base interactions energy: -365.151
where: short stacking energy: -188.608
Base-Backbone interact. energy: -0.012
local terms energy: -182.824094
where:
bonds (distance) C4'-P energy: -35.118
bonds (distance) P-C4' energy: -36.371
flat angles C4'-P-C4' energy: -36.539
flat angles P-C4'-P energy: -18.917
tors. eta vs tors. theta energy: -55.879
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: 10
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -443.204919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.204919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.204919 (E_RNA)
where:
Base-Base interactions energy: -282.678
where: short stacking energy: -129.361
Base-Backbone interact. energy: -0.057
local terms energy: -160.469647
where:
bonds (distance) C4'-P energy: -37.386
bonds (distance) P-C4' energy: -37.821
flat angles C4'-P-C4' energy: -29.097
flat angles P-C4'-P energy: -28.725
tors. eta vs tors. theta energy: -27.439
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: 4
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -465.884801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.884801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.884801 (E_RNA)
where:
Base-Base interactions energy: -298.954
where: short stacking energy: -152.955
Base-Backbone interact. energy: -1.046
local terms energy: -165.885350
where:
bonds (distance) C4'-P energy: -28.558
bonds (distance) P-C4' energy: -32.474
flat angles C4'-P-C4' energy: -39.730
flat angles P-C4'-P energy: -25.784
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: 6, replica: 2
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -363.239586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.239586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.239586 (E_RNA)
where:
Base-Base interactions energy: -216.802
where: short stacking energy: -109.516
Base-Backbone interact. energy: -0.503
local terms energy: -145.934589
where:
bonds (distance) C4'-P energy: -35.972
bonds (distance) P-C4' energy: -32.538
flat angles C4'-P-C4' energy: -30.217
flat angles P-C4'-P energy: -27.582
tors. eta vs tors. theta energy: -19.626
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: 247
Temperature: 1.200000
Total energy: -371.517816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.517816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.517816 (E_RNA)
where:
Base-Base interactions energy: -218.318
where: short stacking energy: -117.769
Base-Backbone interact. energy: 0.273
local terms energy: -153.472529
where:
bonds (distance) C4'-P energy: -29.005
bonds (distance) P-C4' energy: -30.293
flat angles C4'-P-C4' energy: -32.602
flat angles P-C4'-P energy: -26.809
tors. eta vs tors. theta energy: -34.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -312.730431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.730431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.730431 (E_RNA)
where:
Base-Base interactions energy: -198.678
where: short stacking energy: -104.362
Base-Backbone interact. energy: 3.517
local terms energy: -117.568747
where:
bonds (distance) C4'-P energy: -26.815
bonds (distance) P-C4' energy: -25.504
flat angles C4'-P-C4' energy: -34.499
flat angles P-C4'-P energy: -15.551
tors. eta vs tors. theta energy: -15.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -326.828905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.828905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.828905 (E_RNA)
where:
Base-Base interactions energy: -215.040
where: short stacking energy: -119.680
Base-Backbone interact. energy: 0.941
local terms energy: -112.729764
where:
bonds (distance) C4'-P energy: -23.925
bonds (distance) P-C4' energy: -29.456
flat angles C4'-P-C4' energy: -15.279
flat angles P-C4'-P energy: -18.238
tors. eta vs tors. theta energy: -25.832
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: 7
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -217.132352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.132352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.132352 (E_RNA)
where:
Base-Base interactions energy: -114.454
where: short stacking energy: -64.860
Base-Backbone interact. energy: -0.329
local terms energy: -102.349296
where:
bonds (distance) C4'-P energy: -28.768
bonds (distance) P-C4' energy: -34.167
flat angles C4'-P-C4' energy: -26.693
flat angles P-C4'-P energy: -13.052
tors. eta vs tors. theta energy: 0.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -529.963696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.963696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.963696 (E_RNA)
where:
Base-Base interactions energy: -359.954
where: short stacking energy: -167.173
Base-Backbone interact. energy: 0.079
local terms energy: -170.089422
where:
bonds (distance) C4'-P energy: -33.424
bonds (distance) P-C4' energy: -36.367
flat angles C4'-P-C4' energy: -38.097
flat angles P-C4'-P energy: -23.133
tors. eta vs tors. theta energy: -39.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -535.575292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.575292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.575292 (E_RNA)
where:
Base-Base interactions energy: -344.081
where: short stacking energy: -164.699
Base-Backbone interact. energy: -0.675
local terms energy: -190.818704
where:
bonds (distance) C4'-P energy: -36.558
bonds (distance) P-C4' energy: -41.613
flat angles C4'-P-C4' energy: -40.847
flat angles P-C4'-P energy: -25.816
tors. eta vs tors. theta energy: -45.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -538.397995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.397995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.397995 (E_RNA)
where:
Base-Base interactions energy: -355.227
where: short stacking energy: -172.780
Base-Backbone interact. energy: -0.081
local terms energy: -183.090130
where:
bonds (distance) C4'-P energy: -34.343
bonds (distance) P-C4' energy: -37.235
flat angles C4'-P-C4' energy: -40.530
flat angles P-C4'-P energy: -26.317
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: 4, replica: 10
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -454.558127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.558127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.558127 (E_RNA)
where:
Base-Base interactions energy: -299.239
where: short stacking energy: -140.841
Base-Backbone interact. energy: 2.324
local terms energy: -157.643667
where:
bonds (distance) C4'-P energy: -32.445
bonds (distance) P-C4' energy: -37.210
flat angles C4'-P-C4' energy: -33.266
flat angles P-C4'-P energy: -22.563
tors. eta vs tors. theta energy: -32.160
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: 4
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -439.240534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.240534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.240534 (E_RNA)
where:
Base-Base interactions energy: -285.388
where: short stacking energy: -135.102
Base-Backbone interact. energy: -0.812
local terms energy: -153.040489
where:
bonds (distance) C4'-P energy: -32.217
bonds (distance) P-C4' energy: -38.940
flat angles C4'-P-C4' energy: -34.605
flat angles P-C4'-P energy: -19.169
tors. eta vs tors. theta energy: -28.109
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: 6, replica: 2
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -365.103693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.103693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.103693 (E_RNA)
where:
Base-Base interactions energy: -219.130
where: short stacking energy: -123.870
Base-Backbone interact. energy: -1.363
local terms energy: -144.611047
where:
bonds (distance) C4'-P energy: -29.506
bonds (distance) P-C4' energy: -33.691
flat angles C4'-P-C4' energy: -30.018
flat angles P-C4'-P energy: -20.359
tors. eta vs tors. theta energy: -31.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -350.709577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.709577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.709577 (E_RNA)
where:
Base-Base interactions energy: -215.139
where: short stacking energy: -112.383
Base-Backbone interact. energy: -0.371
local terms energy: -135.199253
where:
bonds (distance) C4'-P energy: -30.557
bonds (distance) P-C4' energy: -37.759
flat angles C4'-P-C4' energy: -29.003
flat angles P-C4'-P energy: -17.708
tors. eta vs tors. theta energy: -20.172
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: 3
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -307.487682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.487682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.487682 (E_RNA)
where:
Base-Base interactions energy: -179.518
where: short stacking energy: -87.342
Base-Backbone interact. energy: -0.234
local terms energy: -127.736055
where:
bonds (distance) C4'-P energy: -26.120
bonds (distance) P-C4' energy: -38.862
flat angles C4'-P-C4' energy: -33.268
flat angles P-C4'-P energy: -15.137
tors. eta vs tors. theta energy: -14.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -304.498577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.498577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.498577 (E_RNA)
where:
Base-Base interactions energy: -198.663
where: short stacking energy: -87.245
Base-Backbone interact. energy: 1.807
local terms energy: -107.642114
where:
bonds (distance) C4'-P energy: -30.316
bonds (distance) P-C4' energy: -29.283
flat angles C4'-P-C4' energy: -33.164
flat angles P-C4'-P energy: -9.380
tors. eta vs tors. theta energy: -5.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -211.719181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.719181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.719181 (E_RNA)
where:
Base-Base interactions energy: -106.561
where: short stacking energy: -65.936
Base-Backbone interact. energy: 1.526
local terms energy: -106.683686
where:
bonds (distance) C4'-P energy: -38.938
bonds (distance) P-C4' energy: -24.874
flat angles C4'-P-C4' energy: -20.726
flat angles P-C4'-P energy: -14.308
tors. eta vs tors. theta energy: -7.838
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: 249
Temperature: 0.900000
Total energy: -541.004442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.004442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.004442 (E_RNA)
where:
Base-Base interactions energy: -372.811
where: short stacking energy: -171.674
Base-Backbone interact. energy: -0.647
local terms energy: -167.546829
where:
bonds (distance) C4'-P energy: -31.617
bonds (distance) P-C4' energy: -40.020
flat angles C4'-P-C4' energy: -35.461
flat angles P-C4'-P energy: -16.020
tors. eta vs tors. theta energy: -44.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -572.235146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.235146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.235146 (E_RNA)
where:
Base-Base interactions energy: -378.886
where: short stacking energy: -191.489
Base-Backbone interact. energy: -0.494
local terms energy: -192.855598
where:
bonds (distance) C4'-P energy: -37.376
bonds (distance) P-C4' energy: -35.822
flat angles C4'-P-C4' energy: -38.093
flat angles P-C4'-P energy: -26.465
tors. eta vs tors. theta energy: -55.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -502.619599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.619599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.619599 (E_RNA)
where:
Base-Base interactions energy: -333.405
where: short stacking energy: -161.991
Base-Backbone interact. energy: -0.734
local terms energy: -168.480518
where:
bonds (distance) C4'-P energy: -32.747
bonds (distance) P-C4' energy: -41.426
flat angles C4'-P-C4' energy: -38.296
flat angles P-C4'-P energy: -19.714
tors. eta vs tors. theta energy: -36.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -444.660691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.660691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.660691 (E_RNA)
where:
Base-Base interactions energy: -292.095
where: short stacking energy: -138.583
Base-Backbone interact. energy: 0.042
local terms energy: -152.608111
where:
bonds (distance) C4'-P energy: -25.294
bonds (distance) P-C4' energy: -34.901
flat angles C4'-P-C4' energy: -29.815
flat angles P-C4'-P energy: -24.248
tors. eta vs tors. theta energy: -38.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -432.592297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.592297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.592297 (E_RNA)
where:
Base-Base interactions energy: -286.947
where: short stacking energy: -123.809
Base-Backbone interact. energy: -1.242
local terms energy: -144.403635
where:
bonds (distance) C4'-P energy: -30.163
bonds (distance) P-C4' energy: -32.790
flat angles C4'-P-C4' energy: -29.226
flat angles P-C4'-P energy: -22.274
tors. eta vs tors. theta energy: -29.949
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: 6, replica: 8
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -345.353416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.353416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.353416 (E_RNA)
where:
Base-Base interactions energy: -205.458
where: short stacking energy: -109.083
Base-Backbone interact. energy: 0.037
local terms energy: -139.932174
where:
bonds (distance) C4'-P energy: -28.083
bonds (distance) P-C4' energy: -36.515
flat angles C4'-P-C4' energy: -35.330
flat angles P-C4'-P energy: -20.930
tors. eta vs tors. theta energy: -19.074
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: 2
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -320.089025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.089025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.089025 (E_RNA)
where:
Base-Base interactions energy: -182.636
where: short stacking energy: -86.650
Base-Backbone interact. energy: -1.098
local terms energy: -136.354993
where:
bonds (distance) C4'-P energy: -27.874
bonds (distance) P-C4' energy: -31.198
flat angles C4'-P-C4' energy: -31.989
flat angles P-C4'-P energy: -22.711
tors. eta vs tors. theta energy: -22.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -297.978682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.978682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.978682 (E_RNA)
where:
Base-Base interactions energy: -179.511
where: short stacking energy: -90.256
Base-Backbone interact. energy: -1.218
local terms energy: -117.249986
where:
bonds (distance) C4'-P energy: -28.081
bonds (distance) P-C4' energy: -30.709
flat angles C4'-P-C4' energy: -39.685
flat angles P-C4'-P energy: -12.719
tors. eta vs tors. theta energy: -6.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -303.707461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.707461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.707461 (E_RNA)
where:
Base-Base interactions energy: -174.716
where: short stacking energy: -82.694
Base-Backbone interact. energy: -0.487
local terms energy: -128.503980
where:
bonds (distance) C4'-P energy: -30.610
bonds (distance) P-C4' energy: -38.357
flat angles C4'-P-C4' energy: -29.214
flat angles P-C4'-P energy: -17.768
tors. eta vs tors. theta energy: -12.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -243.737526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.737526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.737526 (E_RNA)
where:
Base-Base interactions energy: -140.496
where: short stacking energy: -78.509
Base-Backbone interact. energy: -0.154
local terms energy: -103.087145
where:
bonds (distance) C4'-P energy: -18.151
bonds (distance) P-C4' energy: -33.574
flat angles C4'-P-C4' energy: -33.667
flat angles P-C4'-P energy: -8.732
tors. eta vs tors. theta energy: -8.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -572.769650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.769650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.769650 (E_RNA)
where:
Base-Base interactions energy: -383.908
where: short stacking energy: -191.180
Base-Backbone interact. energy: -0.261
local terms energy: -188.600909
where:
bonds (distance) C4'-P energy: -34.062
bonds (distance) P-C4' energy: -32.621
flat angles C4'-P-C4' energy: -38.224
flat angles P-C4'-P energy: -30.609
tors. eta vs tors. theta energy: -53.085
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: 250
Temperature: 0.950000
Total energy: -531.693190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.693190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.693190 (E_RNA)
where:
Base-Base interactions energy: -359.787
where: short stacking energy: -153.525
Base-Backbone interact. energy: -0.815
local terms energy: -171.090780
where:
bonds (distance) C4'-P energy: -33.597
bonds (distance) P-C4' energy: -36.249
flat angles C4'-P-C4' energy: -37.786
flat angles P-C4'-P energy: -20.946
tors. eta vs tors. theta energy: -42.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -513.845007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.845007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.845007 (E_RNA)
where:
Base-Base interactions energy: -351.474
where: short stacking energy: -159.135
Base-Backbone interact. energy: -0.174
local terms energy: -162.196433
where:
bonds (distance) C4'-P energy: -28.829
bonds (distance) P-C4' energy: -33.805
flat angles C4'-P-C4' energy: -39.094
flat angles P-C4'-P energy: -20.280
tors. eta vs tors. theta energy: -40.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -482.397110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.397110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.397110 (E_RNA)
where:
Base-Base interactions energy: -318.094
where: short stacking energy: -147.123
Base-Backbone interact. energy: -0.271
local terms energy: -164.032090
where:
bonds (distance) C4'-P energy: -32.982
bonds (distance) P-C4' energy: -36.749
flat angles C4'-P-C4' energy: -31.614
flat angles P-C4'-P energy: -25.950
tors. eta vs tors. theta energy: -36.738
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: 4
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -451.403256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.403256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.403256 (E_RNA)
where:
Base-Base interactions energy: -302.540
where: short stacking energy: -148.031
Base-Backbone interact. energy: -0.550
local terms energy: -148.313870
where:
bonds (distance) C4'-P energy: -30.306
bonds (distance) P-C4' energy: -27.244
flat angles C4'-P-C4' energy: -33.129
flat angles P-C4'-P energy: -22.383
tors. eta vs tors. theta energy: -35.252
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: 8
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -348.188719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.188719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.188719 (E_RNA)
where:
Base-Base interactions energy: -213.932
where: short stacking energy: -102.640
Base-Backbone interact. energy: -0.377
local terms energy: -133.879373
where:
bonds (distance) C4'-P energy: -27.783
bonds (distance) P-C4' energy: -30.762
flat angles C4'-P-C4' energy: -30.042
flat angles P-C4'-P energy: -26.062
tors. eta vs tors. theta energy: -19.230
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: 2
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -336.831273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.831273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.831273 (E_RNA)
where:
Base-Base interactions energy: -199.784
where: short stacking energy: -108.902
Base-Backbone interact. energy: -0.177
local terms energy: -136.870249
where:
bonds (distance) C4'-P energy: -30.993
bonds (distance) P-C4' energy: -28.448
flat angles C4'-P-C4' energy: -33.597
flat angles P-C4'-P energy: -20.284
tors. eta vs tors. theta energy: -23.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -322.079768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.079768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.079768 (E_RNA)
where:
Base-Base interactions energy: -206.207
where: short stacking energy: -113.577
Base-Backbone interact. energy: 0.356
local terms energy: -116.228437
where:
bonds (distance) C4'-P energy: -24.319
bonds (distance) P-C4' energy: -31.354
flat angles C4'-P-C4' energy: -30.281
flat angles P-C4'-P energy: -12.867
tors. eta vs tors. theta energy: -17.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -296.754279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.754279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.754279 (E_RNA)
where:
Base-Base interactions energy: -174.228
where: short stacking energy: -89.511
Base-Backbone interact. energy: -0.605
local terms energy: -121.921830
where:
bonds (distance) C4'-P energy: -29.720
bonds (distance) P-C4' energy: -28.320
flat angles C4'-P-C4' energy: -31.388
flat angles P-C4'-P energy: -21.252
tors. eta vs tors. theta energy: -11.242
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: 7
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -217.702653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.702653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.702653 (E_RNA)
where:
Base-Base interactions energy: -116.151
where: short stacking energy: -65.567
Base-Backbone interact. energy: -0.865
local terms energy: -100.686679
where:
bonds (distance) C4'-P energy: -26.012
bonds (distance) P-C4' energy: -30.333
flat angles C4'-P-C4' energy: -27.356
flat angles P-C4'-P energy: -15.683
tors. eta vs tors. theta energy: -1.302
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: 5
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -566.697979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.697979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.697979 (E_RNA)
where:
Base-Base interactions energy: -382.492
where: short stacking energy: -195.664
Base-Backbone interact. energy: -0.216
local terms energy: -183.990733
where:
bonds (distance) C4'-P energy: -33.959
bonds (distance) P-C4' energy: -32.787
flat angles C4'-P-C4' energy: -36.685
flat angles P-C4'-P energy: -26.762
tors. eta vs tors. theta energy: -53.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -543.381399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.381399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.381399 (E_RNA)
where:
Base-Base interactions energy: -369.287
where: short stacking energy: -162.119
Base-Backbone interact. energy: -1.930
local terms energy: -172.164339
where:
bonds (distance) C4'-P energy: -29.890
bonds (distance) P-C4' energy: -38.920
flat angles C4'-P-C4' energy: -37.901
flat angles P-C4'-P energy: -26.511
tors. eta vs tors. theta energy: -38.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -525.920181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.920181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.920181 (E_RNA)
where:
Base-Base interactions energy: -360.231
where: short stacking energy: -159.955
Base-Backbone interact. energy: -0.793
local terms energy: -164.895882
where:
bonds (distance) C4'-P energy: -33.140
bonds (distance) P-C4' energy: -34.672
flat angles C4'-P-C4' energy: -36.717
flat angles P-C4'-P energy: -18.588
tors. eta vs tors. theta energy: -41.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -444.266902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.266902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.266902 (E_RNA)
where:
Base-Base interactions energy: -287.941
where: short stacking energy: -131.140
Base-Backbone interact. energy: -1.077
local terms energy: -155.249312
where:
bonds (distance) C4'-P energy: -33.700
bonds (distance) P-C4' energy: -29.041
flat angles C4'-P-C4' energy: -39.102
flat angles P-C4'-P energy: -18.035
tors. eta vs tors. theta energy: -35.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -441.020518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.020518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.020518 (E_RNA)
where:
Base-Base interactions energy: -293.290
where: short stacking energy: -137.245
Base-Backbone interact. energy: -0.305
local terms energy: -147.426224
where:
bonds (distance) C4'-P energy: -30.991
bonds (distance) P-C4' energy: -29.959
flat angles C4'-P-C4' energy: -32.392
flat angles P-C4'-P energy: -19.571
tors. eta vs tors. theta energy: -34.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -356.927705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.927705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.927705 (E_RNA)
where:
Base-Base interactions energy: -218.611
where: short stacking energy: -103.014
Base-Backbone interact. energy: -0.105
local terms energy: -138.211575
where:
bonds (distance) C4'-P energy: -30.900
bonds (distance) P-C4' energy: -35.839
flat angles C4'-P-C4' energy: -32.899
flat angles P-C4'-P energy: -16.446
tors. eta vs tors. theta energy: -22.128
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: 2
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -323.805864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.805864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.805864 (E_RNA)
where:
Base-Base interactions energy: -211.452
where: short stacking energy: -106.106
Base-Backbone interact. energy: -0.400
local terms energy: -111.953989
where:
bonds (distance) C4'-P energy: -20.314
bonds (distance) P-C4' energy: -27.512
flat angles C4'-P-C4' energy: -28.431
flat angles P-C4'-P energy: -15.016
tors. eta vs tors. theta energy: -20.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -326.278473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.278473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.278473 (E_RNA)
where:
Base-Base interactions energy: -203.329
where: short stacking energy: -104.265
Base-Backbone interact. energy: 0.711
local terms energy: -123.660526
where:
bonds (distance) C4'-P energy: -24.714
bonds (distance) P-C4' energy: -32.478
flat angles C4'-P-C4' energy: -23.680
flat angles P-C4'-P energy: -21.485
tors. eta vs tors. theta energy: -21.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -310.529292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.529292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.529292 (E_RNA)
where:
Base-Base interactions energy: -183.169
where: short stacking energy: -88.373
Base-Backbone interact. energy: -0.273
local terms energy: -127.087040
where:
bonds (distance) C4'-P energy: -26.048
bonds (distance) P-C4' energy: -35.406
flat angles C4'-P-C4' energy: -33.300
flat angles P-C4'-P energy: -13.615
tors. eta vs tors. theta energy: -18.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -213.066750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.066750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.066750 (E_RNA)
where:
Base-Base interactions energy: -113.273
where: short stacking energy: -71.368
Base-Backbone interact. energy: -0.350
local terms energy: -99.443023
where:
bonds (distance) C4'-P energy: -27.806
bonds (distance) P-C4' energy: -32.359
flat angles C4'-P-C4' energy: -17.451
flat angles P-C4'-P energy: -12.781
tors. eta vs tors. theta energy: -9.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -544.292969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.292969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.292969 (E_RNA)
where:
Base-Base interactions energy: -361.206
where: short stacking energy: -167.724
Base-Backbone interact. energy: -0.590
local terms energy: -182.496759
where:
bonds (distance) C4'-P energy: -36.632
bonds (distance) P-C4' energy: -35.625
flat angles C4'-P-C4' energy: -39.029
flat angles P-C4'-P energy: -29.300
tors. eta vs tors. theta energy: -41.910
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: 5
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -557.131022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.131022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.131022 (E_RNA)
where:
Base-Base interactions energy: -360.058
where: short stacking energy: -188.539
Base-Backbone interact. energy: 0.816
local terms energy: -197.889178
where:
bonds (distance) C4'-P energy: -35.015
bonds (distance) P-C4' energy: -36.938
flat angles C4'-P-C4' energy: -39.801
flat angles P-C4'-P energy: -28.184
tors. eta vs tors. theta energy: -57.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -504.297987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.297987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.297987 (E_RNA)
where:
Base-Base interactions energy: -334.753
where: short stacking energy: -158.114
Base-Backbone interact. energy: -1.193
local terms energy: -168.351070
where:
bonds (distance) C4'-P energy: -29.915
bonds (distance) P-C4' energy: -36.226
flat angles C4'-P-C4' energy: -37.785
flat angles P-C4'-P energy: -27.764
tors. eta vs tors. theta energy: -36.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -451.636709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.636709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.636709 (E_RNA)
where:
Base-Base interactions energy: -300.522
where: short stacking energy: -138.235
Base-Backbone interact. energy: -1.167
local terms energy: -149.947854
where:
bonds (distance) C4'-P energy: -28.528
bonds (distance) P-C4' energy: -32.001
flat angles C4'-P-C4' energy: -35.385
flat angles P-C4'-P energy: -22.846
tors. eta vs tors. theta energy: -31.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -400.820579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.820579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.820579 (E_RNA)
where:
Base-Base interactions energy: -255.902
where: short stacking energy: -128.005
Base-Backbone interact. energy: -0.161
local terms energy: -144.757307
where:
bonds (distance) C4'-P energy: -31.645
bonds (distance) P-C4' energy: -31.224
flat angles C4'-P-C4' energy: -34.238
flat angles P-C4'-P energy: -18.993
tors. eta vs tors. theta energy: -28.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -328.395954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.395954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.395954 (E_RNA)
where:
Base-Base interactions energy: -204.848
where: short stacking energy: -102.383
Base-Backbone interact. energy: -0.873
local terms energy: -122.674876
where:
bonds (distance) C4'-P energy: -25.295
bonds (distance) P-C4' energy: -38.529
flat angles C4'-P-C4' energy: -24.628
flat angles P-C4'-P energy: -22.784
tors. eta vs tors. theta energy: -11.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -341.439906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.439906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.439906 (E_RNA)
where:
Base-Base interactions energy: -203.414
where: short stacking energy: -88.516
Base-Backbone interact. energy: -2.215
local terms energy: -135.811565
where:
bonds (distance) C4'-P energy: -29.058
bonds (distance) P-C4' energy: -31.593
flat angles C4'-P-C4' energy: -30.683
flat angles P-C4'-P energy: -22.572
tors. eta vs tors. theta energy: -21.906
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: 8, replica: 1
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -333.042686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.042686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.042686 (E_RNA)
where:
Base-Base interactions energy: -202.747
where: short stacking energy: -89.804
Base-Backbone interact. energy: -0.306
local terms energy: -129.989677
where:
bonds (distance) C4'-P energy: -21.940
bonds (distance) P-C4' energy: -25.317
flat angles C4'-P-C4' energy: -33.791
flat angles P-C4'-P energy: -24.060
tors. eta vs tors. theta energy: -24.882
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: 3
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -297.385699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.385699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.385699 (E_RNA)
where:
Base-Base interactions energy: -182.496
where: short stacking energy: -89.735
Base-Backbone interact. energy: -0.482
local terms energy: -114.407578
where:
bonds (distance) C4'-P energy: -27.350
bonds (distance) P-C4' energy: -27.224
flat angles C4'-P-C4' energy: -29.539
flat angles P-C4'-P energy: -17.414
tors. eta vs tors. theta energy: -12.881
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: 10, replica: 7
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -224.054006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.054006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.054006 (E_RNA)
where:
Base-Base interactions energy: -126.367
where: short stacking energy: -68.709
Base-Backbone interact. energy: 0.260
local terms energy: -97.946750
where:
bonds (distance) C4'-P energy: -21.981
bonds (distance) P-C4' energy: -33.653
flat angles C4'-P-C4' energy: -25.875
flat angles P-C4'-P energy: -14.019
tors. eta vs tors. theta energy: -2.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -554.216588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.216588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.216588 (E_RNA)
where:
Base-Base interactions energy: -372.986
where: short stacking energy: -164.863
Base-Backbone interact. energy: -1.050
local terms energy: -180.180386
where:
bonds (distance) C4'-P energy: -36.543
bonds (distance) P-C4' energy: -35.937
flat angles C4'-P-C4' energy: -37.298
flat angles P-C4'-P energy: -24.150
tors. eta vs tors. theta energy: -46.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -559.978061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.978061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.978061 (E_RNA)
where:
Base-Base interactions energy: -372.981
where: short stacking energy: -183.458
Base-Backbone interact. energy: 0.257
local terms energy: -187.253962
where:
bonds (distance) C4'-P energy: -32.311
bonds (distance) P-C4' energy: -37.986
flat angles C4'-P-C4' energy: -32.940
flat angles P-C4'-P energy: -26.939
tors. eta vs tors. theta energy: -57.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -524.632565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.632565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.632565 (E_RNA)
where:
Base-Base interactions energy: -344.786
where: short stacking energy: -159.579
Base-Backbone interact. energy: -0.713
local terms energy: -179.133374
where:
bonds (distance) C4'-P energy: -39.320
bonds (distance) P-C4' energy: -42.061
flat angles C4'-P-C4' energy: -38.136
flat angles P-C4'-P energy: -25.519
tors. eta vs tors. theta energy: -34.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -451.734232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.734232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.734232 (E_RNA)
where:
Base-Base interactions energy: -317.075
where: short stacking energy: -145.612
Base-Backbone interact. energy: -0.739
local terms energy: -133.919765
where:
bonds (distance) C4'-P energy: -17.869
bonds (distance) P-C4' energy: -32.542
flat angles C4'-P-C4' energy: -34.711
flat angles P-C4'-P energy: -15.052
tors. eta vs tors. theta energy: -33.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -363.859327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.859327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.859327 (E_RNA)
where:
Base-Base interactions energy: -221.045
where: short stacking energy: -111.513
Base-Backbone interact. energy: -0.454
local terms energy: -142.359960
where:
bonds (distance) C4'-P energy: -31.272
bonds (distance) P-C4' energy: -36.211
flat angles C4'-P-C4' energy: -35.836
flat angles P-C4'-P energy: -16.716
tors. eta vs tors. theta energy: -22.324
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: 2
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -375.075280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.075280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.075280 (E_RNA)
where:
Base-Base interactions energy: -230.126
where: short stacking energy: -115.240
Base-Backbone interact. energy: -0.084
local terms energy: -144.865309
where:
bonds (distance) C4'-P energy: -24.914
bonds (distance) P-C4' energy: -34.807
flat angles C4'-P-C4' energy: -30.524
flat angles P-C4'-P energy: -25.975
tors. eta vs tors. theta energy: -28.645
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: 253
Temperature: 1.200000
Total energy: -334.448781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.448781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.448781 (E_RNA)
where:
Base-Base interactions energy: -192.827
where: short stacking energy: -110.084
Base-Backbone interact. energy: -0.370
local terms energy: -141.251864
where:
bonds (distance) C4'-P energy: -30.759
bonds (distance) P-C4' energy: -34.784
flat angles C4'-P-C4' energy: -35.412
flat angles P-C4'-P energy: -21.847
tors. eta vs tors. theta energy: -18.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -325.970221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.970221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.970221 (E_RNA)
where:
Base-Base interactions energy: -194.017
where: short stacking energy: -88.929
Base-Backbone interact. energy: 2.115
local terms energy: -134.067990
where:
bonds (distance) C4'-P energy: -32.683
bonds (distance) P-C4' energy: -32.842
flat angles C4'-P-C4' energy: -30.528
flat angles P-C4'-P energy: -24.972
tors. eta vs tors. theta energy: -13.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -314.927672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.927672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.927672 (E_RNA)
where:
Base-Base interactions energy: -205.006
where: short stacking energy: -93.213
Base-Backbone interact. energy: -0.539
local terms energy: -109.382708
where:
bonds (distance) C4'-P energy: -29.191
bonds (distance) P-C4' energy: -31.029
flat angles C4'-P-C4' energy: -29.024
flat angles P-C4'-P energy: -12.886
tors. eta vs tors. theta energy: -7.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -161.815942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.815942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.815942 (E_RNA)
where:
Base-Base interactions energy: -72.643
where: short stacking energy: -67.142
Base-Backbone interact. energy: 0.973
local terms energy: -90.145860
where:
bonds (distance) C4'-P energy: -29.028
bonds (distance) P-C4' energy: -31.574
flat angles C4'-P-C4' energy: -13.213
flat angles P-C4'-P energy: -7.999
tors. eta vs tors. theta energy: -8.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -577.447460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.447460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.447460 (E_RNA)
where:
Base-Base interactions energy: -388.222
where: short stacking energy: -197.494
Base-Backbone interact. energy: 0.404
local terms energy: -189.629990
where:
bonds (distance) C4'-P energy: -32.134
bonds (distance) P-C4' energy: -32.950
flat angles C4'-P-C4' energy: -37.271
flat angles P-C4'-P energy: -29.224
tors. eta vs tors. theta energy: -58.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -552.593065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.593065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.593065 (E_RNA)
where:
Base-Base interactions energy: -371.620
where: short stacking energy: -179.289
Base-Backbone interact. energy: -0.399
local terms energy: -180.574115
where:
bonds (distance) C4'-P energy: -39.830
bonds (distance) P-C4' energy: -33.706
flat angles C4'-P-C4' energy: -36.507
flat angles P-C4'-P energy: -23.663
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: 3, replica: 9
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -493.702023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.702023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.702023 (E_RNA)
where:
Base-Base interactions energy: -333.057
where: short stacking energy: -145.898
Base-Backbone interact. energy: -0.169
local terms energy: -160.475828
where:
bonds (distance) C4'-P energy: -33.057
bonds (distance) P-C4' energy: -35.785
flat angles C4'-P-C4' energy: -37.346
flat angles P-C4'-P energy: -20.216
tors. eta vs tors. theta energy: -34.072
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: 4
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -480.353436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.353436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.353436 (E_RNA)
where:
Base-Base interactions energy: -314.269
where: short stacking energy: -127.809
Base-Backbone interact. energy: -1.032
local terms energy: -165.051991
where:
bonds (distance) C4'-P energy: -31.378
bonds (distance) P-C4' energy: -37.542
flat angles C4'-P-C4' energy: -33.771
flat angles P-C4'-P energy: -27.169
tors. eta vs tors. theta energy: -35.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -386.984426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.984426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.984426 (E_RNA)
where:
Base-Base interactions energy: -235.765
where: short stacking energy: -119.880
Base-Backbone interact. energy: -0.245
local terms energy: -150.973608
where:
bonds (distance) C4'-P energy: -31.488
bonds (distance) P-C4' energy: -30.428
flat angles C4'-P-C4' energy: -35.174
flat angles P-C4'-P energy: -26.465
tors. eta vs tors. theta energy: -27.419
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: 254
Temperature: 1.150000
Total energy: -366.189331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.189331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.189331 (E_RNA)
where:
Base-Base interactions energy: -216.772
where: short stacking energy: -124.218
Base-Backbone interact. energy: -0.419
local terms energy: -148.998631
where:
bonds (distance) C4'-P energy: -32.719
bonds (distance) P-C4' energy: -31.457
flat angles C4'-P-C4' energy: -35.513
flat angles P-C4'-P energy: -15.778
tors. eta vs tors. theta energy: -33.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -346.782590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.782590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.782590 (E_RNA)
where:
Base-Base interactions energy: -211.930
where: short stacking energy: -105.833
Base-Backbone interact. energy: 1.280
local terms energy: -136.132780
where:
bonds (distance) C4'-P energy: -31.352
bonds (distance) P-C4' energy: -30.663
flat angles C4'-P-C4' energy: -28.782
flat angles P-C4'-P energy: -23.688
tors. eta vs tors. theta energy: -21.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -327.318157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.318157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.318157 (E_RNA)
where:
Base-Base interactions energy: -187.124
where: short stacking energy: -104.722
Base-Backbone interact. energy: 0.022
local terms energy: -140.215488
where:
bonds (distance) C4'-P energy: -34.703
bonds (distance) P-C4' energy: -35.131
flat angles C4'-P-C4' energy: -32.005
flat angles P-C4'-P energy: -22.853
tors. eta vs tors. theta energy: -15.524
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: 9, replica: 1
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -285.333334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.333334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.333334 (E_RNA)
where:
Base-Base interactions energy: -163.357
where: short stacking energy: -90.908
Base-Backbone interact. energy: -0.800
local terms energy: -121.176573
where:
bonds (distance) C4'-P energy: -26.565
bonds (distance) P-C4' energy: -26.374
flat angles C4'-P-C4' energy: -31.883
flat angles P-C4'-P energy: -21.157
tors. eta vs tors. theta energy: -15.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -179.716407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.716407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.716407 (E_RNA)
where:
Base-Base interactions energy: -62.473
where: short stacking energy: -61.293
Base-Backbone interact. energy: -0.482
local terms energy: -116.761420
where:
bonds (distance) C4'-P energy: -26.101
bonds (distance) P-C4' energy: -30.795
flat angles C4'-P-C4' energy: -30.516
flat angles P-C4'-P energy: -19.314
tors. eta vs tors. theta energy: -10.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -576.229166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.229166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.229166 (E_RNA)
where:
Base-Base interactions energy: -387.769
where: short stacking energy: -200.149
Base-Backbone interact. energy: -0.111
local terms energy: -188.348951
where:
bonds (distance) C4'-P energy: -31.190
bonds (distance) P-C4' energy: -34.131
flat angles C4'-P-C4' energy: -37.573
flat angles P-C4'-P energy: -27.066
tors. eta vs tors. theta energy: -58.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -560.836807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.836807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.836807 (E_RNA)
where:
Base-Base interactions energy: -379.110
where: short stacking energy: -178.730
Base-Backbone interact. energy: -0.786
local terms energy: -180.940456
where:
bonds (distance) C4'-P energy: -28.797
bonds (distance) P-C4' energy: -36.305
flat angles C4'-P-C4' energy: -41.272
flat angles P-C4'-P energy: -27.634
tors. eta vs tors. theta energy: -46.932
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: 3, replica: 9
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -497.766588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.766588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.766588 (E_RNA)
where:
Base-Base interactions energy: -325.671
where: short stacking energy: -123.299
Base-Backbone interact. energy: 0.333
local terms energy: -172.428509
where:
bonds (distance) C4'-P energy: -37.070
bonds (distance) P-C4' energy: -37.058
flat angles C4'-P-C4' energy: -36.336
flat angles P-C4'-P energy: -28.027
tors. eta vs tors. theta energy: -33.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -453.274938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.274938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.274938 (E_RNA)
where:
Base-Base interactions energy: -307.577
where: short stacking energy: -128.917
Base-Backbone interact. energy: 0.690
local terms energy: -146.387849
where:
bonds (distance) C4'-P energy: -31.116
bonds (distance) P-C4' energy: -38.141
flat angles C4'-P-C4' energy: -27.685
flat angles P-C4'-P energy: -23.205
tors. eta vs tors. theta energy: -26.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -367.058405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.058405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.058405 (E_RNA)
where:
Base-Base interactions energy: -220.018
where: short stacking energy: -130.578
Base-Backbone interact. energy: -0.301
local terms energy: -146.739147
where:
bonds (distance) C4'-P energy: -26.665
bonds (distance) P-C4' energy: -33.845
flat angles C4'-P-C4' energy: -36.986
flat angles P-C4'-P energy: -19.165
tors. eta vs tors. theta energy: -30.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -351.076397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.076397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.076397 (E_RNA)
where:
Base-Base interactions energy: -211.919
where: short stacking energy: -113.845
Base-Backbone interact. energy: -0.430
local terms energy: -138.728195
where:
bonds (distance) C4'-P energy: -31.017
bonds (distance) P-C4' energy: -29.566
flat angles C4'-P-C4' energy: -34.797
flat angles P-C4'-P energy: -18.737
tors. eta vs tors. theta energy: -24.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -342.399464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.399464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.399464 (E_RNA)
where:
Base-Base interactions energy: -226.193
where: short stacking energy: -92.540
Base-Backbone interact. energy: 0.028
local terms energy: -116.233828
where:
bonds (distance) C4'-P energy: -30.050
bonds (distance) P-C4' energy: -31.300
flat angles C4'-P-C4' energy: -32.486
flat angles P-C4'-P energy: -12.611
tors. eta vs tors. theta energy: -9.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -268.552891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.552891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.552891 (E_RNA)
where:
Base-Base interactions energy: -149.187
where: short stacking energy: -84.496
Base-Backbone interact. energy: -0.646
local terms energy: -118.719872
where:
bonds (distance) C4'-P energy: -30.022
bonds (distance) P-C4' energy: -29.249
flat angles C4'-P-C4' energy: -26.163
flat angles P-C4'-P energy: -21.574
tors. eta vs tors. theta energy: -11.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -307.267286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.267286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.267286 (E_RNA)
where:
Base-Base interactions energy: -189.483
where: short stacking energy: -94.704
Base-Backbone interact. energy: -0.769
local terms energy: -117.014898
where:
bonds (distance) C4'-P energy: -21.693
bonds (distance) P-C4' energy: -29.569
flat angles C4'-P-C4' energy: -33.866
flat angles P-C4'-P energy: -19.339
tors. eta vs tors. theta energy: -12.547
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: 10, replica: 7
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -152.082818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.082818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.082818 (E_RNA)
where:
Base-Base interactions energy: -57.472
where: short stacking energy: -56.131
Base-Backbone interact. energy: 1.078
local terms energy: -95.688524
where:
bonds (distance) C4'-P energy: -29.285
bonds (distance) P-C4' energy: -32.010
flat angles C4'-P-C4' energy: -21.070
flat angles P-C4'-P energy: -6.465
tors. eta vs tors. theta energy: -6.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -572.315179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.315179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.315179 (E_RNA)
where:
Base-Base interactions energy: -377.089
where: short stacking energy: -188.321
Base-Backbone interact. energy: -0.278
local terms energy: -194.947595
where:
bonds (distance) C4'-P energy: -37.049
bonds (distance) P-C4' energy: -40.122
flat angles C4'-P-C4' energy: -38.140
flat angles P-C4'-P energy: -24.184
tors. eta vs tors. theta energy: -55.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -533.967884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.967884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.967884 (E_RNA)
where:
Base-Base interactions energy: -366.876
where: short stacking energy: -172.639
Base-Backbone interact. energy: -1.282
local terms energy: -165.809964
where:
bonds (distance) C4'-P energy: -26.299
bonds (distance) P-C4' energy: -32.596
flat angles C4'-P-C4' energy: -35.865
flat angles P-C4'-P energy: -24.959
tors. eta vs tors. theta energy: -46.091
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: 9
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -485.486452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.486452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.486452 (E_RNA)
where:
Base-Base interactions energy: -335.619
where: short stacking energy: -146.962
Base-Backbone interact. energy: -0.706
local terms energy: -149.160749
where:
bonds (distance) C4'-P energy: -33.384
bonds (distance) P-C4' energy: -33.309
flat angles C4'-P-C4' energy: -33.020
flat angles P-C4'-P energy: -21.871
tors. eta vs tors. theta energy: -27.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -451.780571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.780571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.780571 (E_RNA)
where:
Base-Base interactions energy: -316.239
where: short stacking energy: -154.840
Base-Backbone interact. energy: -0.387
local terms energy: -135.154386
where:
bonds (distance) C4'-P energy: -34.075
bonds (distance) P-C4' energy: -31.839
flat angles C4'-P-C4' energy: -25.065
flat angles P-C4'-P energy: -11.942
tors. eta vs tors. theta energy: -32.234
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: 10
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -397.031263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.031263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.031263 (E_RNA)
where:
Base-Base interactions energy: -257.513
where: short stacking energy: -114.783
Base-Backbone interact. energy: 2.728
local terms energy: -142.246387
where:
bonds (distance) C4'-P energy: -25.139
bonds (distance) P-C4' energy: -33.952
flat angles C4'-P-C4' energy: -33.665
flat angles P-C4'-P energy: -23.782
tors. eta vs tors. theta energy: -25.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -362.595541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.595541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.595541 (E_RNA)
where:
Base-Base interactions energy: -226.310
where: short stacking energy: -119.094
Base-Backbone interact. energy: 2.164
local terms energy: -138.449189
where:
bonds (distance) C4'-P energy: -27.821
bonds (distance) P-C4' energy: -29.149
flat angles C4'-P-C4' energy: -29.507
flat angles P-C4'-P energy: -21.326
tors. eta vs tors. theta energy: -30.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -349.315490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.315490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.315490 (E_RNA)
where:
Base-Base interactions energy: -221.237
where: short stacking energy: -119.643
Base-Backbone interact. energy: 0.920
local terms energy: -128.998917
where:
bonds (distance) C4'-P energy: -33.764
bonds (distance) P-C4' energy: -30.090
flat angles C4'-P-C4' energy: -26.391
flat angles P-C4'-P energy: -11.110
tors. eta vs tors. theta energy: -27.645
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: 1
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -290.463018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.463018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.463018 (E_RNA)
where:
Base-Base interactions energy: -171.766
where: short stacking energy: -88.574
Base-Backbone interact. energy: 1.194
local terms energy: -119.890922
where:
bonds (distance) C4'-P energy: -25.889
bonds (distance) P-C4' energy: -34.344
flat angles C4'-P-C4' energy: -27.421
flat angles P-C4'-P energy: -20.539
tors. eta vs tors. theta energy: -11.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -289.606565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.606565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.606565 (E_RNA)
where:
Base-Base interactions energy: -175.181
where: short stacking energy: -92.145
Base-Backbone interact. energy: 0.151
local terms energy: -114.576506
where:
bonds (distance) C4'-P energy: -28.028
bonds (distance) P-C4' energy: -33.828
flat angles C4'-P-C4' energy: -21.305
flat angles P-C4'-P energy: -18.188
tors. eta vs tors. theta energy: -13.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -163.833301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.833301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.833301 (E_RNA)
where:
Base-Base interactions energy: -57.019
where: short stacking energy: -51.170
Base-Backbone interact. energy: 1.230
local terms energy: -108.044070
where:
bonds (distance) C4'-P energy: -25.664
bonds (distance) P-C4' energy: -30.877
flat angles C4'-P-C4' energy: -25.634
flat angles P-C4'-P energy: -24.127
tors. eta vs tors. theta energy: -1.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -577.174665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.174665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.174665 (E_RNA)
where:
Base-Base interactions energy: -383.028
where: short stacking energy: -192.273
Base-Backbone interact. energy: -0.666
local terms energy: -193.480210
where:
bonds (distance) C4'-P energy: -34.878
bonds (distance) P-C4' energy: -34.157
flat angles C4'-P-C4' energy: -36.717
flat angles P-C4'-P energy: -29.784
tors. eta vs tors. theta energy: -57.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -544.880304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.880304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.880304 (E_RNA)
where:
Base-Base interactions energy: -367.493
where: short stacking energy: -183.228
Base-Backbone interact. energy: -0.645
local terms energy: -176.742262
where:
bonds (distance) C4'-P energy: -29.467
bonds (distance) P-C4' energy: -33.921
flat angles C4'-P-C4' energy: -34.021
flat angles P-C4'-P energy: -28.523
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: 3, replica: 9
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -502.541172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.541172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.541172 (E_RNA)
where:
Base-Base interactions energy: -341.356
where: short stacking energy: -151.586
Base-Backbone interact. energy: -0.912
local terms energy: -160.273726
where:
bonds (distance) C4'-P energy: -34.667
bonds (distance) P-C4' energy: -31.261
flat angles C4'-P-C4' energy: -35.611
flat angles P-C4'-P energy: -19.132
tors. eta vs tors. theta energy: -39.603
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: 4, replica: 4
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -458.139629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.139629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.139629 (E_RNA)
where:
Base-Base interactions energy: -296.862
where: short stacking energy: -139.606
Base-Backbone interact. energy: -0.413
local terms energy: -160.864756
where:
bonds (distance) C4'-P energy: -33.281
bonds (distance) P-C4' energy: -39.309
flat angles C4'-P-C4' energy: -34.218
flat angles P-C4'-P energy: -19.412
tors. eta vs tors. theta energy: -34.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -429.153520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.153520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.153520 (E_RNA)
where:
Base-Base interactions energy: -271.376
where: short stacking energy: -143.287
Base-Backbone interact. energy: -0.928
local terms energy: -156.850061
where:
bonds (distance) C4'-P energy: -32.119
bonds (distance) P-C4' energy: -25.101
flat angles C4'-P-C4' energy: -36.585
flat angles P-C4'-P energy: -27.443
tors. eta vs tors. theta energy: -35.601
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: 8
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -367.161905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.161905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.161905 (E_RNA)
where:
Base-Base interactions energy: -229.041
where: short stacking energy: -109.799
Base-Backbone interact. energy: 0.440
local terms energy: -138.560438
where:
bonds (distance) C4'-P energy: -31.183
bonds (distance) P-C4' energy: -31.117
flat angles C4'-P-C4' energy: -29.842
flat angles P-C4'-P energy: -18.138
tors. eta vs tors. theta energy: -28.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -345.549280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.549280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.549280 (E_RNA)
where:
Base-Base interactions energy: -217.357
where: short stacking energy: -102.513
Base-Backbone interact. energy: -0.413
local terms energy: -127.779494
where:
bonds (distance) C4'-P energy: -29.459
bonds (distance) P-C4' energy: -37.843
flat angles C4'-P-C4' energy: -22.015
flat angles P-C4'-P energy: -21.045
tors. eta vs tors. theta energy: -17.417
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: 3
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -308.435984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.435984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.435984 (E_RNA)
where:
Base-Base interactions energy: -196.512
where: short stacking energy: -108.034
Base-Backbone interact. energy: -0.227
local terms energy: -111.697137
where:
bonds (distance) C4'-P energy: -19.533
bonds (distance) P-C4' energy: -26.605
flat angles C4'-P-C4' energy: -31.694
flat angles P-C4'-P energy: -15.371
tors. eta vs tors. theta energy: -18.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -225.779958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.779958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.779958 (E_RNA)
where:
Base-Base interactions energy: -125.143
where: short stacking energy: -61.791
Base-Backbone interact. energy: 0.729
local terms energy: -101.366022
where:
bonds (distance) C4'-P energy: -27.920
bonds (distance) P-C4' energy: -37.926
flat angles C4'-P-C4' energy: -19.358
flat angles P-C4'-P energy: -14.479
tors. eta vs tors. theta energy: -1.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -156.968614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.968614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.968614 (E_RNA)
where:
Base-Base interactions energy: -61.897
where: short stacking energy: -54.992
Base-Backbone interact. energy: -1.079
local terms energy: -93.993103
where:
bonds (distance) C4'-P energy: -29.409
bonds (distance) P-C4' energy: -27.039
flat angles C4'-P-C4' energy: -18.354
flat angles P-C4'-P energy: -16.828
tors. eta vs tors. theta energy: -2.364
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: 5
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -577.440076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.440076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.440076 (E_RNA)
where:
Base-Base interactions energy: -379.834
where: short stacking energy: -190.573
Base-Backbone interact. energy: -0.110
local terms energy: -197.496133
where:
bonds (distance) C4'-P energy: -32.432
bonds (distance) P-C4' energy: -38.384
flat angles C4'-P-C4' energy: -40.203
flat angles P-C4'-P energy: -29.814
tors. eta vs tors. theta energy: -56.663
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: 6
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -532.620014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.620014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.620014 (E_RNA)
where:
Base-Base interactions energy: -350.389
where: short stacking energy: -161.293
Base-Backbone interact. energy: -0.381
local terms energy: -181.850468
where:
bonds (distance) C4'-P energy: -36.364
bonds (distance) P-C4' energy: -37.908
flat angles C4'-P-C4' energy: -34.851
flat angles P-C4'-P energy: -28.760
tors. eta vs tors. theta energy: -43.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -472.981088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.981088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.981088 (E_RNA)
where:
Base-Base interactions energy: -305.695
where: short stacking energy: -140.878
Base-Backbone interact. energy: -0.461
local terms energy: -166.824306
where:
bonds (distance) C4'-P energy: -35.719
bonds (distance) P-C4' energy: -38.432
flat angles C4'-P-C4' energy: -32.624
flat angles P-C4'-P energy: -23.767
tors. eta vs tors. theta energy: -36.282
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: 9
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -487.454979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.454979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.454979 (E_RNA)
where:
Base-Base interactions energy: -334.998
where: short stacking energy: -144.034
Base-Backbone interact. energy: -0.837
local terms energy: -151.620116
where:
bonds (distance) C4'-P energy: -14.122
bonds (distance) P-C4' energy: -32.456
flat angles C4'-P-C4' energy: -38.391
flat angles P-C4'-P energy: -26.337
tors. eta vs tors. theta energy: -40.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -421.035046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.035046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.035046 (E_RNA)
where:
Base-Base interactions energy: -264.752
where: short stacking energy: -126.440
Base-Backbone interact. energy: 0.368
local terms energy: -156.650591
where:
bonds (distance) C4'-P energy: -32.069
bonds (distance) P-C4' energy: -31.713
flat angles C4'-P-C4' energy: -35.182
flat angles P-C4'-P energy: -28.905
tors. eta vs tors. theta energy: -28.781
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: 6, replica: 8
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -384.984091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.984091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.984091 (E_RNA)
where:
Base-Base interactions energy: -241.609
where: short stacking energy: -117.569
Base-Backbone interact. energy: -0.474
local terms energy: -142.901354
where:
bonds (distance) C4'-P energy: -29.451
bonds (distance) P-C4' energy: -29.586
flat angles C4'-P-C4' energy: -28.105
flat angles P-C4'-P energy: -21.968
tors. eta vs tors. theta energy: -33.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -338.955931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.955931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.955931 (E_RNA)
where:
Base-Base interactions energy: -222.201
where: short stacking energy: -108.033
Base-Backbone interact. energy: -0.490
local terms energy: -116.265152
where:
bonds (distance) C4'-P energy: -23.962
bonds (distance) P-C4' energy: -26.990
flat angles C4'-P-C4' energy: -27.893
flat angles P-C4'-P energy: -26.394
tors. eta vs tors. theta energy: -11.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -327.773891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.773891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.773891 (E_RNA)
where:
Base-Base interactions energy: -211.890
where: short stacking energy: -107.337
Base-Backbone interact. energy: -0.568
local terms energy: -115.315359
where:
bonds (distance) C4'-P energy: -25.208
bonds (distance) P-C4' energy: -31.371
flat angles C4'-P-C4' energy: -26.879
flat angles P-C4'-P energy: -14.141
tors. eta vs tors. theta energy: -17.717
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: 1
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -312.840429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.840429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.840429 (E_RNA)
where:
Base-Base interactions energy: -188.825
where: short stacking energy: -85.866
Base-Backbone interact. energy: 1.920
local terms energy: -125.935660
where:
bonds (distance) C4'-P energy: -25.451
bonds (distance) P-C4' energy: -31.674
flat angles C4'-P-C4' energy: -30.463
flat angles P-C4'-P energy: -22.148
tors. eta vs tors. theta energy: -16.199
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: 7
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -165.034316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.034316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.034316 (E_RNA)
where:
Base-Base interactions energy: -56.946
where: short stacking energy: -56.946
Base-Backbone interact. energy: -0.034
local terms energy: -108.054582
where:
bonds (distance) C4'-P energy: -31.822
bonds (distance) P-C4' energy: -27.229
flat angles C4'-P-C4' energy: -37.181
flat angles P-C4'-P energy: -12.905
tors. eta vs tors. theta energy: 1.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -587.586621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.586621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.586621 (E_RNA)
where:
Base-Base interactions energy: -391.090
where: short stacking energy: -187.326
Base-Backbone interact. energy: 0.128
local terms energy: -196.624679
where:
bonds (distance) C4'-P energy: -35.928
bonds (distance) P-C4' energy: -37.380
flat angles C4'-P-C4' energy: -36.646
flat angles P-C4'-P energy: -28.169
tors. eta vs tors. theta energy: -58.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -527.764524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.764524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.764524 (E_RNA)
where:
Base-Base interactions energy: -345.228
where: short stacking energy: -169.480
Base-Backbone interact. energy: -0.798
local terms energy: -181.738674
where:
bonds (distance) C4'-P energy: -37.611
bonds (distance) P-C4' energy: -28.280
flat angles C4'-P-C4' energy: -38.490
flat angles P-C4'-P energy: -26.148
tors. eta vs tors. theta energy: -51.210
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: 4
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -474.723133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.723133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.723133 (E_RNA)
where:
Base-Base interactions energy: -306.453
where: short stacking energy: -153.368
Base-Backbone interact. energy: -0.726
local terms energy: -167.543999
where:
bonds (distance) C4'-P energy: -32.041
bonds (distance) P-C4' energy: -34.212
flat angles C4'-P-C4' energy: -31.257
flat angles P-C4'-P energy: -31.855
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: 4, replica: 9
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -476.418518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.418518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.418518 (E_RNA)
where:
Base-Base interactions energy: -315.380
where: short stacking energy: -125.809
Base-Backbone interact. energy: 1.547
local terms energy: -162.585951
where:
bonds (distance) C4'-P energy: -29.906
bonds (distance) P-C4' energy: -27.739
flat angles C4'-P-C4' energy: -41.358
flat angles P-C4'-P energy: -25.342
tors. eta vs tors. theta energy: -38.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -426.875006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.875006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.875006 (E_RNA)
where:
Base-Base interactions energy: -260.628
where: short stacking energy: -143.820
Base-Backbone interact. energy: -0.683
local terms energy: -165.563040
where:
bonds (distance) C4'-P energy: -36.524
bonds (distance) P-C4' energy: -36.173
flat angles C4'-P-C4' energy: -33.494
flat angles P-C4'-P energy: -20.524
tors. eta vs tors. theta energy: -38.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -392.363122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.363122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.363122 (E_RNA)
where:
Base-Base interactions energy: -248.609
where: short stacking energy: -112.808
Base-Backbone interact. energy: 1.216
local terms energy: -144.969695
where:
bonds (distance) C4'-P energy: -33.444
bonds (distance) P-C4' energy: -27.495
flat angles C4'-P-C4' energy: -37.450
flat angles P-C4'-P energy: -19.214
tors. eta vs tors. theta energy: -27.366
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: 7, replica: 2
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -356.039018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.039018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.039018 (E_RNA)
where:
Base-Base interactions energy: -216.187
where: short stacking energy: -106.245
Base-Backbone interact. energy: 1.485
local terms energy: -141.337040
where:
bonds (distance) C4'-P energy: -30.270
bonds (distance) P-C4' energy: -27.478
flat angles C4'-P-C4' energy: -36.613
flat angles P-C4'-P energy: -24.483
tors. eta vs tors. theta energy: -22.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -325.890032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.890032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.890032 (E_RNA)
where:
Base-Base interactions energy: -199.777
where: short stacking energy: -96.014
Base-Backbone interact. energy: -0.559
local terms energy: -125.553934
where:
bonds (distance) C4'-P energy: -34.253
bonds (distance) P-C4' energy: -31.816
flat angles C4'-P-C4' energy: -32.360
flat angles P-C4'-P energy: -13.395
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: 9, replica: 3
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -303.703807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.703807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.703807 (E_RNA)
where:
Base-Base interactions energy: -190.267
where: short stacking energy: -93.383
Base-Backbone interact. energy: 1.357
local terms energy: -114.793695
where:
bonds (distance) C4'-P energy: -34.627
bonds (distance) P-C4' energy: -24.540
flat angles C4'-P-C4' energy: -28.354
flat angles P-C4'-P energy: -10.982
tors. eta vs tors. theta energy: -16.291
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: 10, replica: 7
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -173.814791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.814791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.814791 (E_RNA)
where:
Base-Base interactions energy: -69.964
where: short stacking energy: -50.955
Base-Backbone interact. energy: 0.351
local terms energy: -104.202188
where:
bonds (distance) C4'-P energy: -31.165
bonds (distance) P-C4' energy: -26.893
flat angles C4'-P-C4' energy: -24.874
flat angles P-C4'-P energy: -17.368
tors. eta vs tors. theta energy: -3.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -579.808817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.808817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.808817 (E_RNA)
where:
Base-Base interactions energy: -391.802
where: short stacking energy: -201.878
Base-Backbone interact. energy: -0.173
local terms energy: -187.833861
where:
bonds (distance) C4'-P energy: -35.368
bonds (distance) P-C4' energy: -36.359
flat angles C4'-P-C4' energy: -39.825
flat angles P-C4'-P energy: -20.891
tors. eta vs tors. theta energy: -55.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -526.094853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.094853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.094853 (E_RNA)
where:
Base-Base interactions energy: -347.268
where: short stacking energy: -160.159
Base-Backbone interact. energy: -0.837
local terms energy: -177.989547
where:
bonds (distance) C4'-P energy: -29.402
bonds (distance) P-C4' energy: -38.972
flat angles C4'-P-C4' energy: -36.734
flat angles P-C4'-P energy: -28.156
tors. eta vs tors. theta energy: -44.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -469.031136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.031136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.031136 (E_RNA)
where:
Base-Base interactions energy: -304.862
where: short stacking energy: -144.893
Base-Backbone interact. energy: -0.533
local terms energy: -163.636510
where:
bonds (distance) C4'-P energy: -36.209
bonds (distance) P-C4' energy: -33.274
flat angles C4'-P-C4' energy: -34.198
flat angles P-C4'-P energy: -24.919
tors. eta vs tors. theta energy: -35.036
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: 9
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -485.214754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.214754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.214754 (E_RNA)
where:
Base-Base interactions energy: -321.442
where: short stacking energy: -156.876
Base-Backbone interact. energy: -0.493
local terms energy: -163.279565
where:
bonds (distance) C4'-P energy: -32.091
bonds (distance) P-C4' energy: -31.262
flat angles C4'-P-C4' energy: -34.217
flat angles P-C4'-P energy: -24.076
tors. eta vs tors. theta energy: -41.634
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: 5, replica: 10
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -424.488024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.488024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.488024 (E_RNA)
where:
Base-Base interactions energy: -267.685
where: short stacking energy: -138.283
Base-Backbone interact. energy: -0.944
local terms energy: -155.859080
where:
bonds (distance) C4'-P energy: -31.588
bonds (distance) P-C4' energy: -32.870
flat angles C4'-P-C4' energy: -35.572
flat angles P-C4'-P energy: -17.642
tors. eta vs tors. theta energy: -38.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -399.371720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.371720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.371720 (E_RNA)
where:
Base-Base interactions energy: -248.353
where: short stacking energy: -128.081
Base-Backbone interact. energy: 0.827
local terms energy: -151.845411
where:
bonds (distance) C4'-P energy: -26.335
bonds (distance) P-C4' energy: -34.751
flat angles C4'-P-C4' energy: -32.983
flat angles P-C4'-P energy: -22.583
tors. eta vs tors. theta energy: -35.194
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: 2
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -347.287503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.287503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.287503 (E_RNA)
where:
Base-Base interactions energy: -218.406
where: short stacking energy: -94.002
Base-Backbone interact. energy: -0.451
local terms energy: -128.430515
where:
bonds (distance) C4'-P energy: -26.239
bonds (distance) P-C4' energy: -29.141
flat angles C4'-P-C4' energy: -37.745
flat angles P-C4'-P energy: -23.169
tors. eta vs tors. theta energy: -12.136
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: 1
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -300.136216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.136216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.136216 (E_RNA)
where:
Base-Base interactions energy: -190.322
where: short stacking energy: -101.489
Base-Backbone interact. energy: 1.311
local terms energy: -111.124642
where:
bonds (distance) C4'-P energy: -21.638
bonds (distance) P-C4' energy: -32.281
flat angles C4'-P-C4' energy: -26.608
flat angles P-C4'-P energy: -16.004
tors. eta vs tors. theta energy: -14.594
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: 3
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -306.268988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.268988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.268988 (E_RNA)
where:
Base-Base interactions energy: -190.436
where: short stacking energy: -91.770
Base-Backbone interact. energy: -0.252
local terms energy: -115.581369
where:
bonds (distance) C4'-P energy: -25.646
bonds (distance) P-C4' energy: -27.438
flat angles C4'-P-C4' energy: -29.662
flat angles P-C4'-P energy: -19.822
tors. eta vs tors. theta energy: -13.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -170.813088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.813088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.813088 (E_RNA)
where:
Base-Base interactions energy: -67.605
where: short stacking energy: -37.793
Base-Backbone interact. energy: -0.459
local terms energy: -102.748920
where:
bonds (distance) C4'-P energy: -36.479
bonds (distance) P-C4' energy: -31.195
flat angles C4'-P-C4' energy: -22.870
flat angles P-C4'-P energy: -15.569
tors. eta vs tors. theta energy: 3.364
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: 5
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -569.786425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.786425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.786425 (E_RNA)
where:
Base-Base interactions energy: -380.975
where: short stacking energy: -197.671
Base-Backbone interact. energy: -0.599
local terms energy: -188.212495
where:
bonds (distance) C4'-P energy: -31.347
bonds (distance) P-C4' energy: -34.322
flat angles C4'-P-C4' energy: -42.655
flat angles P-C4'-P energy: -25.381
tors. eta vs tors. theta energy: -54.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -529.649720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.649720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.649720 (E_RNA)
where:
Base-Base interactions energy: -358.675
where: short stacking energy: -163.778
Base-Backbone interact. energy: -0.543
local terms energy: -170.431153
where:
bonds (distance) C4'-P energy: -31.621
bonds (distance) P-C4' energy: -28.421
flat angles C4'-P-C4' energy: -37.592
flat angles P-C4'-P energy: -27.017
tors. eta vs tors. theta energy: -45.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -488.329740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.329740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.329740 (E_RNA)
where:
Base-Base interactions energy: -317.980
where: short stacking energy: -162.484
Base-Backbone interact. energy: 0.313
local terms energy: -170.662733
where:
bonds (distance) C4'-P energy: -35.563
bonds (distance) P-C4' energy: -36.247
flat angles C4'-P-C4' energy: -35.013
flat angles P-C4'-P energy: -23.690
tors. eta vs tors. theta energy: -40.149
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: 9
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -479.493880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.493880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.493880 (E_RNA)
where:
Base-Base interactions energy: -326.374
where: short stacking energy: -142.294
Base-Backbone interact. energy: 0.428
local terms energy: -153.547548
where:
bonds (distance) C4'-P energy: -31.805
bonds (distance) P-C4' energy: -33.064
flat angles C4'-P-C4' energy: -29.083
flat angles P-C4'-P energy: -24.481
tors. eta vs tors. theta energy: -35.114
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: 10
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -438.850779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.850779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.850779 (E_RNA)
where:
Base-Base interactions energy: -277.461
where: short stacking energy: -137.890
Base-Backbone interact. energy: -0.553
local terms energy: -160.836223
where:
bonds (distance) C4'-P energy: -31.558
bonds (distance) P-C4' energy: -39.043
flat angles C4'-P-C4' energy: -30.347
flat angles P-C4'-P energy: -25.668
tors. eta vs tors. theta energy: -34.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -341.560865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.560865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.560865 (E_RNA)
where:
Base-Base interactions energy: -212.897
where: short stacking energy: -104.017
Base-Backbone interact. energy: 0.087
local terms energy: -128.751170
where:
bonds (distance) C4'-P energy: -27.668
bonds (distance) P-C4' energy: -32.118
flat angles C4'-P-C4' energy: -27.574
flat angles P-C4'-P energy: -21.297
tors. eta vs tors. theta energy: -20.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -386.257977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.257977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.257977 (E_RNA)
where:
Base-Base interactions energy: -256.888
where: short stacking energy: -119.542
Base-Backbone interact. energy: -1.635
local terms energy: -127.735083
where:
bonds (distance) C4'-P energy: -33.587
bonds (distance) P-C4' energy: -28.695
flat angles C4'-P-C4' energy: -29.015
flat angles P-C4'-P energy: -11.840
tors. eta vs tors. theta energy: -24.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -319.535200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.535200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.535200 (E_RNA)
where:
Base-Base interactions energy: -189.736
where: short stacking energy: -104.547
Base-Backbone interact. energy: -1.479
local terms energy: -128.319975
where:
bonds (distance) C4'-P energy: -29.211
bonds (distance) P-C4' energy: -28.984
flat angles C4'-P-C4' energy: -33.338
flat angles P-C4'-P energy: -16.750
tors. eta vs tors. theta energy: -20.036
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: 3
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -296.252547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.252547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.252547 (E_RNA)
where:
Base-Base interactions energy: -176.053
where: short stacking energy: -94.705
Base-Backbone interact. energy: -0.580
local terms energy: -119.619460
where:
bonds (distance) C4'-P energy: -27.036
bonds (distance) P-C4' energy: -34.342
flat angles C4'-P-C4' energy: -31.037
flat angles P-C4'-P energy: -10.114
tors. eta vs tors. theta energy: -17.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -196.736644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.736644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.736644 (E_RNA)
where:
Base-Base interactions energy: -87.799
where: short stacking energy: -58.726
Base-Backbone interact. energy: -1.318
local terms energy: -107.619356
where:
bonds (distance) C4'-P energy: -25.690
bonds (distance) P-C4' energy: -33.356
flat angles C4'-P-C4' energy: -34.489
flat angles P-C4'-P energy: -12.283
tors. eta vs tors. theta energy: -1.800
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: 5
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -588.115591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.115591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.115591 (E_RNA)
where:
Base-Base interactions energy: -395.845
where: short stacking energy: -190.517
Base-Backbone interact. energy: -0.157
local terms energy: -192.113485
where:
bonds (distance) C4'-P energy: -36.012
bonds (distance) P-C4' energy: -37.428
flat angles C4'-P-C4' energy: -39.590
flat angles P-C4'-P energy: -22.763
tors. eta vs tors. theta energy: -56.320
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: 6
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -543.684649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.684649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.684649 (E_RNA)
where:
Base-Base interactions energy: -357.757
where: short stacking energy: -177.165
Base-Backbone interact. energy: -0.414
local terms energy: -185.512882
where:
bonds (distance) C4'-P energy: -35.258
bonds (distance) P-C4' energy: -32.163
flat angles C4'-P-C4' energy: -43.000
flat angles P-C4'-P energy: -26.700
tors. eta vs tors. theta energy: -48.391
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: 3, replica: 4
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -483.540904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.540904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.540904 (E_RNA)
where:
Base-Base interactions energy: -316.658
where: short stacking energy: -152.886
Base-Backbone interact. energy: -1.351
local terms energy: -165.531482
where:
bonds (distance) C4'-P energy: -32.343
bonds (distance) P-C4' energy: -33.139
flat angles C4'-P-C4' energy: -33.108
flat angles P-C4'-P energy: -25.718
tors. eta vs tors. theta energy: -41.223
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: 9
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -487.847753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.847753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.847753 (E_RNA)
where:
Base-Base interactions energy: -322.883
where: short stacking energy: -144.110
Base-Backbone interact. energy: -1.744
local terms energy: -163.221069
where:
bonds (distance) C4'-P energy: -23.908
bonds (distance) P-C4' energy: -35.941
flat angles C4'-P-C4' energy: -39.707
flat angles P-C4'-P energy: -29.037
tors. eta vs tors. theta energy: -34.628
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: 10
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -438.956501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.956501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.956501 (E_RNA)
where:
Base-Base interactions energy: -296.634
where: short stacking energy: -140.229
Base-Backbone interact. energy: 3.359
local terms energy: -145.681296
where:
bonds (distance) C4'-P energy: -25.508
bonds (distance) P-C4' energy: -28.457
flat angles C4'-P-C4' energy: -32.012
flat angles P-C4'-P energy: -22.372
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: 6, replica: 2
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -346.180044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.180044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.180044 (E_RNA)
where:
Base-Base interactions energy: -216.172
where: short stacking energy: -105.597
Base-Backbone interact. energy: -0.643
local terms energy: -129.365362
where:
bonds (distance) C4'-P energy: -34.010
bonds (distance) P-C4' energy: -25.328
flat angles C4'-P-C4' energy: -34.024
flat angles P-C4'-P energy: -12.407
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: 8
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -358.318743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.318743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.318743 (E_RNA)
where:
Base-Base interactions energy: -218.326
where: short stacking energy: -102.140
Base-Backbone interact. energy: 1.491
local terms energy: -141.483500
where:
bonds (distance) C4'-P energy: -27.705
bonds (distance) P-C4' energy: -35.147
flat angles C4'-P-C4' energy: -30.280
flat angles P-C4'-P energy: -23.667
tors. eta vs tors. theta energy: -24.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -305.298677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.298677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.298677 (E_RNA)
where:
Base-Base interactions energy: -176.410
where: short stacking energy: -86.242
Base-Backbone interact. energy: -0.079
local terms energy: -128.809321
where:
bonds (distance) C4'-P energy: -37.955
bonds (distance) P-C4' energy: -34.059
flat angles C4'-P-C4' energy: -23.236
flat angles P-C4'-P energy: -22.134
tors. eta vs tors. theta energy: -11.426
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: 3
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -317.182356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.182356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.182356 (E_RNA)
where:
Base-Base interactions energy: -197.937
where: short stacking energy: -95.962
Base-Backbone interact. energy: 1.618
local terms energy: -120.863575
where:
bonds (distance) C4'-P energy: -30.461
bonds (distance) P-C4' energy: -24.312
flat angles C4'-P-C4' energy: -28.002
flat angles P-C4'-P energy: -17.902
tors. eta vs tors. theta energy: -20.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -218.436375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.436375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.436375 (E_RNA)
where:
Base-Base interactions energy: -107.088
where: short stacking energy: -58.726
Base-Backbone interact. energy: -1.210
local terms energy: -110.137786
where:
bonds (distance) C4'-P energy: -27.398
bonds (distance) P-C4' energy: -21.292
flat angles C4'-P-C4' energy: -31.851
flat angles P-C4'-P energy: -22.788
tors. eta vs tors. theta energy: -6.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -571.143766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.143766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.143766 (E_RNA)
where:
Base-Base interactions energy: -375.895
where: short stacking energy: -188.990
Base-Backbone interact. energy: -0.155
local terms energy: -195.094037
where:
bonds (distance) C4'-P energy: -36.331
bonds (distance) P-C4' energy: -34.246
flat angles C4'-P-C4' energy: -38.689
flat angles P-C4'-P energy: -29.349
tors. eta vs tors. theta energy: -56.479
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: 6
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -555.413893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.413893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.413893 (E_RNA)
where:
Base-Base interactions energy: -369.392
where: short stacking energy: -187.925
Base-Backbone interact. energy: -1.295
local terms energy: -184.726552
where:
bonds (distance) C4'-P energy: -33.881
bonds (distance) P-C4' energy: -29.866
flat angles C4'-P-C4' energy: -39.192
flat angles P-C4'-P energy: -29.921
tors. eta vs tors. theta energy: -51.866
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: 4
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -473.637529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.637529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.637529 (E_RNA)
where:
Base-Base interactions energy: -310.677
where: short stacking energy: -155.367
Base-Backbone interact. energy: -0.250
local terms energy: -162.710704
where:
bonds (distance) C4'-P energy: -36.394
bonds (distance) P-C4' energy: -26.952
flat angles C4'-P-C4' energy: -35.228
flat angles P-C4'-P energy: -27.990
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: 4, replica: 9
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -466.483043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.483043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.483043 (E_RNA)
where:
Base-Base interactions energy: -318.573
where: short stacking energy: -144.214
Base-Backbone interact. energy: -1.340
local terms energy: -146.569870
where:
bonds (distance) C4'-P energy: -23.284
bonds (distance) P-C4' energy: -27.727
flat angles C4'-P-C4' energy: -33.813
flat angles P-C4'-P energy: -22.127
tors. eta vs tors. theta energy: -39.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -430.855708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.855708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.855708 (E_RNA)
where:
Base-Base interactions energy: -269.265
where: short stacking energy: -132.984
Base-Backbone interact. energy: -0.314
local terms energy: -161.276340
where:
bonds (distance) C4'-P energy: -32.549
bonds (distance) P-C4' energy: -35.322
flat angles C4'-P-C4' energy: -32.216
flat angles P-C4'-P energy: -21.559
tors. eta vs tors. theta energy: -39.630
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: 263
Temperature: 1.150000
Total energy: -397.653700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.653700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.653700 (E_RNA)
where:
Base-Base interactions energy: -245.578
where: short stacking energy: -122.373
Base-Backbone interact. energy: -0.746
local terms energy: -151.329994
where:
bonds (distance) C4'-P energy: -32.741
bonds (distance) P-C4' energy: -30.983
flat angles C4'-P-C4' energy: -34.721
flat angles P-C4'-P energy: -24.237
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: 7, replica: 2
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -334.711243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.711243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.711243 (E_RNA)
where:
Base-Base interactions energy: -201.422
where: short stacking energy: -101.123
Base-Backbone interact. energy: -1.014
local terms energy: -132.274853
where:
bonds (distance) C4'-P energy: -29.315
bonds (distance) P-C4' energy: -29.816
flat angles C4'-P-C4' energy: -33.727
flat angles P-C4'-P energy: -18.899
tors. eta vs tors. theta energy: -20.518
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: 3
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -325.307155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.307155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.307155 (E_RNA)
where:
Base-Base interactions energy: -199.082
where: short stacking energy: -107.452
Base-Backbone interact. energy: -0.974
local terms energy: -125.250970
where:
bonds (distance) C4'-P energy: -28.726
bonds (distance) P-C4' energy: -29.752
flat angles C4'-P-C4' energy: -28.854
flat angles P-C4'-P energy: -15.714
tors. eta vs tors. theta energy: -22.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -299.896787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.896787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.896787 (E_RNA)
where:
Base-Base interactions energy: -167.696
where: short stacking energy: -75.479
Base-Backbone interact. energy: 0.767
local terms energy: -132.968024
where:
bonds (distance) C4'-P energy: -25.668
bonds (distance) P-C4' energy: -38.070
flat angles C4'-P-C4' energy: -22.974
flat angles P-C4'-P energy: -26.474
tors. eta vs tors. theta energy: -19.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -234.288310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.288310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.288310 (E_RNA)
where:
Base-Base interactions energy: -117.220
where: short stacking energy: -62.680
Base-Backbone interact. energy: 0.636
local terms energy: -117.704291
where:
bonds (distance) C4'-P energy: -18.533
bonds (distance) P-C4' energy: -32.529
flat angles C4'-P-C4' energy: -30.392
flat angles P-C4'-P energy: -26.287
tors. eta vs tors. theta energy: -9.964
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: 1, replica: 6
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -554.710677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.710677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.710677 (E_RNA)
where:
Base-Base interactions energy: -369.418
where: short stacking energy: -183.129
Base-Backbone interact. energy: -0.862
local terms energy: -184.430660
where:
bonds (distance) C4'-P energy: -33.019
bonds (distance) P-C4' energy: -33.596
flat angles C4'-P-C4' energy: -41.425
flat angles P-C4'-P energy: -27.661
tors. eta vs tors. theta energy: -48.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -569.088385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.088385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.088385 (E_RNA)
where:
Base-Base interactions energy: -377.399
where: short stacking energy: -190.056
Base-Backbone interact. energy: -0.194
local terms energy: -191.495357
where:
bonds (distance) C4'-P energy: -32.512
bonds (distance) P-C4' energy: -36.951
flat angles C4'-P-C4' energy: -34.763
flat angles P-C4'-P energy: -28.445
tors. eta vs tors. theta energy: -58.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -508.466886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.466886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.466886 (E_RNA)
where:
Base-Base interactions energy: -347.435
where: short stacking energy: -161.895
Base-Backbone interact. energy: -0.644
local terms energy: -160.387112
where:
bonds (distance) C4'-P energy: -27.994
bonds (distance) P-C4' energy: -33.329
flat angles C4'-P-C4' energy: -31.346
flat angles P-C4'-P energy: -24.922
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: 4, replica: 4
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -449.313359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.313359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.313359 (E_RNA)
where:
Base-Base interactions energy: -297.407
where: short stacking energy: -132.498
Base-Backbone interact. energy: -0.566
local terms energy: -151.340558
where:
bonds (distance) C4'-P energy: -28.398
bonds (distance) P-C4' energy: -31.794
flat angles C4'-P-C4' energy: -27.750
flat angles P-C4'-P energy: -25.728
tors. eta vs tors. theta energy: -37.670
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: 8
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -395.969972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.969972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.969972 (E_RNA)
where:
Base-Base interactions energy: -253.653
where: short stacking energy: -128.241
Base-Backbone interact. energy: -0.318
local terms energy: -141.999148
where:
bonds (distance) C4'-P energy: -35.355
bonds (distance) P-C4' energy: -27.165
flat angles C4'-P-C4' energy: -35.558
flat angles P-C4'-P energy: -13.805
tors. eta vs tors. theta energy: -30.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -414.979209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.979209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.979209 (E_RNA)
where:
Base-Base interactions energy: -273.004
where: short stacking energy: -138.984
Base-Backbone interact. energy: -0.317
local terms energy: -141.658510
where:
bonds (distance) C4'-P energy: -27.195
bonds (distance) P-C4' energy: -23.241
flat angles C4'-P-C4' energy: -33.151
flat angles P-C4'-P energy: -22.259
tors. eta vs tors. theta energy: -35.813
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: 2
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -336.357997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.357997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.357997 (E_RNA)
where:
Base-Base interactions energy: -199.929
where: short stacking energy: -94.744
Base-Backbone interact. energy: -0.051
local terms energy: -136.377526
where:
bonds (distance) C4'-P energy: -30.037
bonds (distance) P-C4' energy: -26.765
flat angles C4'-P-C4' energy: -33.522
flat angles P-C4'-P energy: -23.342
tors. eta vs tors. theta energy: -22.711
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: 8, replica: 3
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -304.250072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.250072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.250072 (E_RNA)
where:
Base-Base interactions energy: -175.042
where: short stacking energy: -89.274
Base-Backbone interact. energy: -0.214
local terms energy: -128.994027
where:
bonds (distance) C4'-P energy: -30.484
bonds (distance) P-C4' energy: -33.488
flat angles C4'-P-C4' energy: -33.414
flat angles P-C4'-P energy: -17.093
tors. eta vs tors. theta energy: -14.515
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: 9, replica: 1
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -306.313985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.313985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.313985 (E_RNA)
where:
Base-Base interactions energy: -181.713
where: short stacking energy: -88.479
Base-Backbone interact. energy: 0.246
local terms energy: -124.847046
where:
bonds (distance) C4'-P energy: -31.404
bonds (distance) P-C4' energy: -28.951
flat angles C4'-P-C4' energy: -30.385
flat angles P-C4'-P energy: -15.499
tors. eta vs tors. theta energy: -18.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -218.597028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.597028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.597028 (E_RNA)
where:
Base-Base interactions energy: -111.357
where: short stacking energy: -70.524
Base-Backbone interact. energy: -0.392
local terms energy: -106.847148
where:
bonds (distance) C4'-P energy: -30.090
bonds (distance) P-C4' energy: -27.741
flat angles C4'-P-C4' energy: -23.533
flat angles P-C4'-P energy: -16.183
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: 6
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -546.262996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.262996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.262996 (E_RNA)
where:
Base-Base interactions energy: -366.549
where: short stacking energy: -177.584
Base-Backbone interact. energy: -1.016
local terms energy: -178.698436
where:
bonds (distance) C4'-P energy: -30.941
bonds (distance) P-C4' energy: -31.371
flat angles C4'-P-C4' energy: -36.769
flat angles P-C4'-P energy: -31.723
tors. eta vs tors. theta energy: -47.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -569.420909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.420909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.420909 (E_RNA)
where:
Base-Base interactions energy: -381.302
where: short stacking energy: -194.931
Base-Backbone interact. energy: -0.198
local terms energy: -187.921238
where:
bonds (distance) C4'-P energy: -37.067
bonds (distance) P-C4' energy: -30.264
flat angles C4'-P-C4' energy: -36.189
flat angles P-C4'-P energy: -28.948
tors. eta vs tors. theta energy: -55.454
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: 9
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -509.971756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.971756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.971756 (E_RNA)
where:
Base-Base interactions energy: -335.530
where: short stacking energy: -153.026
Base-Backbone interact. energy: -0.954
local terms energy: -173.487724
where:
bonds (distance) C4'-P energy: -29.770
bonds (distance) P-C4' energy: -33.566
flat angles C4'-P-C4' energy: -39.483
flat angles P-C4'-P energy: -29.746
tors. eta vs tors. theta energy: -40.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -461.346405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.346405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.346405 (E_RNA)
where:
Base-Base interactions energy: -309.061
where: short stacking energy: -146.883
Base-Backbone interact. energy: -0.445
local terms energy: -151.840413
where:
bonds (distance) C4'-P energy: -34.155
bonds (distance) P-C4' energy: -22.878
flat angles C4'-P-C4' energy: -29.884
flat angles P-C4'-P energy: -24.889
tors. eta vs tors. theta energy: -40.034
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: 8
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -414.191267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.191267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.191267 (E_RNA)
where:
Base-Base interactions energy: -249.495
where: short stacking energy: -131.484
Base-Backbone interact. energy: -0.981
local terms energy: -163.714651
where:
bonds (distance) C4'-P energy: -31.297
bonds (distance) P-C4' energy: -30.917
flat angles C4'-P-C4' energy: -35.852
flat angles P-C4'-P energy: -28.262
tors. eta vs tors. theta energy: -37.387
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: 2
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -355.075037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.075037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.075037 (E_RNA)
where:
Base-Base interactions energy: -213.151
where: short stacking energy: -118.699
Base-Backbone interact. energy: -0.204
local terms energy: -141.720507
where:
bonds (distance) C4'-P energy: -30.734
bonds (distance) P-C4' energy: -30.110
flat angles C4'-P-C4' energy: -30.959
flat angles P-C4'-P energy: -18.791
tors. eta vs tors. theta energy: -31.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -376.453912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.453912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.453912 (E_RNA)
where:
Base-Base interactions energy: -250.095
where: short stacking energy: -101.956
Base-Backbone interact. energy: -0.439
local terms energy: -125.919038
where:
bonds (distance) C4'-P energy: -23.458
bonds (distance) P-C4' energy: -30.509
flat angles C4'-P-C4' energy: -30.198
flat angles P-C4'-P energy: -16.058
tors. eta vs tors. theta energy: -25.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -315.477126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.477126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.477126 (E_RNA)
where:
Base-Base interactions energy: -200.489
where: short stacking energy: -97.515
Base-Backbone interact. energy: -2.445
local terms energy: -112.543126
where:
bonds (distance) C4'-P energy: -27.434
bonds (distance) P-C4' energy: -25.741
flat angles C4'-P-C4' energy: -29.243
flat angles P-C4'-P energy: -11.387
tors. eta vs tors. theta energy: -18.738
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: 265
Temperature: 1.300000
Total energy: -324.216289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.216289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.216289 (E_RNA)
where:
Base-Base interactions energy: -212.931
where: short stacking energy: -108.515
Base-Backbone interact. energy: -0.411
local terms energy: -110.874698
where:
bonds (distance) C4'-P energy: -22.278
bonds (distance) P-C4' energy: -34.584
flat angles C4'-P-C4' energy: -24.794
flat angles P-C4'-P energy: -14.195
tors. eta vs tors. theta energy: -15.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -232.431048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.431048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.431048 (E_RNA)
where:
Base-Base interactions energy: -122.073
where: short stacking energy: -75.751
Base-Backbone interact. energy: 1.048
local terms energy: -111.405421
where:
bonds (distance) C4'-P energy: -33.977
bonds (distance) P-C4' energy: -28.836
flat angles C4'-P-C4' energy: -18.914
flat angles P-C4'-P energy: -18.373
tors. eta vs tors. theta energy: -11.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -572.181028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.181028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.181028 (E_RNA)
where:
Base-Base interactions energy: -376.138
where: short stacking energy: -191.172
Base-Backbone interact. energy: -0.158
local terms energy: -195.884409
where:
bonds (distance) C4'-P energy: -32.569
bonds (distance) P-C4' energy: -42.155
flat angles C4'-P-C4' energy: -36.888
flat angles P-C4'-P energy: -28.008
tors. eta vs tors. theta energy: -56.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -529.548601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.548601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.548601 (E_RNA)
where:
Base-Base interactions energy: -355.966
where: short stacking energy: -166.764
Base-Backbone interact. energy: -0.943
local terms energy: -172.639809
where:
bonds (distance) C4'-P energy: -30.565
bonds (distance) P-C4' energy: -30.144
flat angles C4'-P-C4' energy: -37.547
flat angles P-C4'-P energy: -27.652
tors. eta vs tors. theta energy: -46.732
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: 9
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -502.578650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.578650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.578650 (E_RNA)
where:
Base-Base interactions energy: -337.230
where: short stacking energy: -156.089
Base-Backbone interact. energy: -1.183
local terms energy: -164.165609
where:
bonds (distance) C4'-P energy: -28.945
bonds (distance) P-C4' energy: -34.036
flat angles C4'-P-C4' energy: -35.540
flat angles P-C4'-P energy: -25.671
tors. eta vs tors. theta energy: -39.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -482.976692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.976692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.976692 (E_RNA)
where:
Base-Base interactions energy: -334.371
where: short stacking energy: -126.565
Base-Backbone interact. energy: 3.233
local terms energy: -151.838219
where:
bonds (distance) C4'-P energy: -25.962
bonds (distance) P-C4' energy: -31.267
flat angles C4'-P-C4' energy: -28.301
flat angles P-C4'-P energy: -33.876
tors. eta vs tors. theta energy: -32.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -384.590831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.590831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.590831 (E_RNA)
where:
Base-Base interactions energy: -239.097
where: short stacking energy: -112.594
Base-Backbone interact. energy: 0.112
local terms energy: -145.605987
where:
bonds (distance) C4'-P energy: -36.688
bonds (distance) P-C4' energy: -34.457
flat angles C4'-P-C4' energy: -28.361
flat angles P-C4'-P energy: -25.091
tors. eta vs tors. theta energy: -21.009
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: 8
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -398.356296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.356296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.356296 (E_RNA)
where:
Base-Base interactions energy: -241.268
where: short stacking energy: -116.240
Base-Backbone interact. energy: -0.816
local terms energy: -156.272236
where:
bonds (distance) C4'-P energy: -36.581
bonds (distance) P-C4' energy: -37.375
flat angles C4'-P-C4' energy: -34.964
flat angles P-C4'-P energy: -20.815
tors. eta vs tors. theta energy: -26.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -338.811963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.811963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.811963 (E_RNA)
where:
Base-Base interactions energy: -203.392
where: short stacking energy: -104.995
Base-Backbone interact. energy: -0.431
local terms energy: -134.989545
where:
bonds (distance) C4'-P energy: -35.885
bonds (distance) P-C4' energy: -34.063
flat angles C4'-P-C4' energy: -24.829
flat angles P-C4'-P energy: -16.161
tors. eta vs tors. theta energy: -24.051
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: 1
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -309.854253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.854253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.854253 (E_RNA)
where:
Base-Base interactions energy: -171.874
where: short stacking energy: -83.777
Base-Backbone interact. energy: -1.088
local terms energy: -136.891729
where:
bonds (distance) C4'-P energy: -36.023
bonds (distance) P-C4' energy: -34.795
flat angles C4'-P-C4' energy: -27.185
flat angles P-C4'-P energy: -20.420
tors. eta vs tors. theta energy: -18.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -243.370740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.370740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.370740 (E_RNA)
where:
Base-Base interactions energy: -130.507
where: short stacking energy: -75.136
Base-Backbone interact. energy: -0.389
local terms energy: -112.474264
where:
bonds (distance) C4'-P energy: -27.117
bonds (distance) P-C4' energy: -28.192
flat angles C4'-P-C4' energy: -29.646
flat angles P-C4'-P energy: -21.362
tors. eta vs tors. theta energy: -6.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -301.634401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.634401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.634401 (E_RNA)
where:
Base-Base interactions energy: -171.146
where: short stacking energy: -80.208
Base-Backbone interact. energy: 1.352
local terms energy: -131.839950
where:
bonds (distance) C4'-P energy: -24.610
bonds (distance) P-C4' energy: -31.660
flat angles C4'-P-C4' energy: -37.798
flat angles P-C4'-P energy: -22.699
tors. eta vs tors. theta energy: -15.073
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: 5
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -579.400119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.400119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.400119 (E_RNA)
where:
Base-Base interactions energy: -385.896
where: short stacking energy: -192.466
Base-Backbone interact. energy: -0.237
local terms energy: -193.267168
where:
bonds (distance) C4'-P energy: -31.547
bonds (distance) P-C4' energy: -35.210
flat angles C4'-P-C4' energy: -39.189
flat angles P-C4'-P energy: -30.314
tors. eta vs tors. theta energy: -57.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -523.409459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.409459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.409459 (E_RNA)
where:
Base-Base interactions energy: -345.767
where: short stacking energy: -164.517
Base-Backbone interact. energy: -1.421
local terms energy: -176.220663
where:
bonds (distance) C4'-P energy: -35.062
bonds (distance) P-C4' energy: -39.216
flat angles C4'-P-C4' energy: -35.290
flat angles P-C4'-P energy: -22.147
tors. eta vs tors. theta energy: -44.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -513.442110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.442110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.442110 (E_RNA)
where:
Base-Base interactions energy: -342.793
where: short stacking energy: -162.880
Base-Backbone interact. energy: -0.884
local terms energy: -169.765177
where:
bonds (distance) C4'-P energy: -30.873
bonds (distance) P-C4' energy: -31.889
flat angles C4'-P-C4' energy: -40.573
flat angles P-C4'-P energy: -23.715
tors. eta vs tors. theta energy: -42.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -491.351660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.351660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.351660 (E_RNA)
where:
Base-Base interactions energy: -324.276
where: short stacking energy: -155.555
Base-Backbone interact. energy: -2.102
local terms energy: -164.973774
where:
bonds (distance) C4'-P energy: -30.847
bonds (distance) P-C4' energy: -33.636
flat angles C4'-P-C4' energy: -41.847
flat angles P-C4'-P energy: -21.448
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: 2
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -360.128378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.128378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.128378 (E_RNA)
where:
Base-Base interactions energy: -219.085
where: short stacking energy: -117.855
Base-Backbone interact. energy: -0.232
local terms energy: -140.811980
where:
bonds (distance) C4'-P energy: -34.615
bonds (distance) P-C4' energy: -30.288
flat angles C4'-P-C4' energy: -29.135
flat angles P-C4'-P energy: -18.816
tors. eta vs tors. theta energy: -27.957
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: 6, replica: 8
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -390.111731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.111731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.111731 (E_RNA)
where:
Base-Base interactions energy: -249.692
where: short stacking energy: -125.785
Base-Backbone interact. energy: -0.042
local terms energy: -140.376857
where:
bonds (distance) C4'-P energy: -25.145
bonds (distance) P-C4' energy: -35.536
flat angles C4'-P-C4' energy: -25.169
flat angles P-C4'-P energy: -23.988
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: 10
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -346.786673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.786673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.786673 (E_RNA)
where:
Base-Base interactions energy: -215.646
where: short stacking energy: -103.933
Base-Backbone interact. energy: 0.382
local terms energy: -131.522860
where:
bonds (distance) C4'-P energy: -26.650
bonds (distance) P-C4' energy: -23.082
flat angles C4'-P-C4' energy: -35.478
flat angles P-C4'-P energy: -22.517
tors. eta vs tors. theta energy: -23.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -334.252146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.252146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.252146 (E_RNA)
where:
Base-Base interactions energy: -205.451
where: short stacking energy: -96.148
Base-Backbone interact. energy: -0.009
local terms energy: -128.791449
where:
bonds (distance) C4'-P energy: -34.175
bonds (distance) P-C4' energy: -38.879
flat angles C4'-P-C4' energy: -24.939
flat angles P-C4'-P energy: -14.206
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: 7
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -243.685474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.685474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.685474 (E_RNA)
where:
Base-Base interactions energy: -131.576
where: short stacking energy: -73.514
Base-Backbone interact. energy: -0.128
local terms energy: -111.981056
where:
bonds (distance) C4'-P energy: -20.680
bonds (distance) P-C4' energy: -33.682
flat angles C4'-P-C4' energy: -32.475
flat angles P-C4'-P energy: -21.182
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: 10, replica: 3
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -263.604852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.604852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.604852 (E_RNA)
where:
Base-Base interactions energy: -156.202
where: short stacking energy: -69.481
Base-Backbone interact. energy: -0.157
local terms energy: -107.245511
where:
bonds (distance) C4'-P energy: -27.311
bonds (distance) P-C4' energy: -15.905
flat angles C4'-P-C4' energy: -31.435
flat angles P-C4'-P energy: -22.051
tors. eta vs tors. theta energy: -10.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -578.751282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.751282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.751282 (E_RNA)
where:
Base-Base interactions energy: -383.850
where: short stacking energy: -181.732
Base-Backbone interact. energy: 0.052
local terms energy: -194.953480
where:
bonds (distance) C4'-P energy: -37.755
bonds (distance) P-C4' energy: -36.095
flat angles C4'-P-C4' energy: -38.477
flat angles P-C4'-P energy: -27.806
tors. eta vs tors. theta energy: -54.820
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: 9
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -535.551404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.551404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.551404 (E_RNA)
where:
Base-Base interactions energy: -353.130
where: short stacking energy: -168.641
Base-Backbone interact. energy: -0.287
local terms energy: -182.133769
where:
bonds (distance) C4'-P energy: -29.053
bonds (distance) P-C4' energy: -37.705
flat angles C4'-P-C4' energy: -42.221
flat angles P-C4'-P energy: -25.421
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: 3, replica: 6
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -527.586850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.586850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.586850 (E_RNA)
where:
Base-Base interactions energy: -361.020
where: short stacking energy: -165.034
Base-Backbone interact. energy: -0.824
local terms energy: -165.742459
where:
bonds (distance) C4'-P energy: -27.633
bonds (distance) P-C4' energy: -31.733
flat angles C4'-P-C4' energy: -37.932
flat angles P-C4'-P energy: -27.681
tors. eta vs tors. theta energy: -40.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -494.473087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.473087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.473087 (E_RNA)
where:
Base-Base interactions energy: -336.304
where: short stacking energy: -155.028
Base-Backbone interact. energy: -0.630
local terms energy: -157.539675
where:
bonds (distance) C4'-P energy: -29.673
bonds (distance) P-C4' energy: -33.154
flat angles C4'-P-C4' energy: -39.620
flat angles P-C4'-P energy: -21.575
tors. eta vs tors. theta energy: -33.517
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: 8
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -398.063706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.063706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.063706 (E_RNA)
where:
Base-Base interactions energy: -246.671
where: short stacking energy: -130.532
Base-Backbone interact. energy: -0.527
local terms energy: -150.865655
where:
bonds (distance) C4'-P energy: -38.405
bonds (distance) P-C4' energy: -35.093
flat angles C4'-P-C4' energy: -32.854
flat angles P-C4'-P energy: -15.836
tors. eta vs tors. theta energy: -28.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -362.553183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.553183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.553183 (E_RNA)
where:
Base-Base interactions energy: -218.245
where: short stacking energy: -133.629
Base-Backbone interact. energy: -0.118
local terms energy: -144.190469
where:
bonds (distance) C4'-P energy: -26.871
bonds (distance) P-C4' energy: -32.543
flat angles C4'-P-C4' energy: -35.912
flat angles P-C4'-P energy: -21.606
tors. eta vs tors. theta energy: -27.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -403.023536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.023536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.023536 (E_RNA)
where:
Base-Base interactions energy: -257.997
where: short stacking energy: -112.328
Base-Backbone interact. energy: -0.602
local terms energy: -144.424930
where:
bonds (distance) C4'-P energy: -32.638
bonds (distance) P-C4' energy: -31.552
flat angles C4'-P-C4' energy: -29.881
flat angles P-C4'-P energy: -24.004
tors. eta vs tors. theta energy: -26.350
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: 268
Temperature: 1.250000
Total energy: -337.083451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.083451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.083451 (E_RNA)
where:
Base-Base interactions energy: -203.805
where: short stacking energy: -100.269
Base-Backbone interact. energy: -1.116
local terms energy: -132.162296
where:
bonds (distance) C4'-P energy: -36.628
bonds (distance) P-C4' energy: -25.686
flat angles C4'-P-C4' energy: -31.197
flat angles P-C4'-P energy: -27.017
tors. eta vs tors. theta energy: -11.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -280.206159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.206159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.206159 (E_RNA)
where:
Base-Base interactions energy: -165.110
where: short stacking energy: -75.457
Base-Backbone interact. energy: 1.053
local terms energy: -116.148962
where:
bonds (distance) C4'-P energy: -28.450
bonds (distance) P-C4' energy: -31.258
flat angles C4'-P-C4' energy: -35.335
flat angles P-C4'-P energy: -12.860
tors. eta vs tors. theta energy: -8.247
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: 7
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -234.139973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.139973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.139973 (E_RNA)
where:
Base-Base interactions energy: -115.579
where: short stacking energy: -71.129
Base-Backbone interact. energy: -1.091
local terms energy: -117.470575
where:
bonds (distance) C4'-P energy: -33.610
bonds (distance) P-C4' energy: -26.005
flat angles C4'-P-C4' energy: -33.512
flat angles P-C4'-P energy: -17.489
tors. eta vs tors. theta energy: -6.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -565.096239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.096239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.096239 (E_RNA)
where:
Base-Base interactions energy: -372.503
where: short stacking energy: -193.762
Base-Backbone interact. energy: -0.379
local terms energy: -192.214431
where:
bonds (distance) C4'-P energy: -35.799
bonds (distance) P-C4' energy: -35.360
flat angles C4'-P-C4' energy: -36.665
flat angles P-C4'-P energy: -28.057
tors. eta vs tors. theta energy: -56.335
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: 269
Temperature: 0.950000
Total energy: -525.488860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.488860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.488860 (E_RNA)
where:
Base-Base interactions energy: -351.539
where: short stacking energy: -155.523
Base-Backbone interact. energy: 0.643
local terms energy: -174.593414
where:
bonds (distance) C4'-P energy: -37.324
bonds (distance) P-C4' energy: -34.624
flat angles C4'-P-C4' energy: -39.809
flat angles P-C4'-P energy: -21.442
tors. eta vs tors. theta energy: -41.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -504.469160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.469160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.469160 (E_RNA)
where:
Base-Base interactions energy: -336.802
where: short stacking energy: -160.254
Base-Backbone interact. energy: -0.550
local terms energy: -167.116886
where:
bonds (distance) C4'-P energy: -32.839
bonds (distance) P-C4' energy: -32.352
flat angles C4'-P-C4' energy: -38.597
flat angles P-C4'-P energy: -26.712
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: 4, replica: 4
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -479.337707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.337707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.337707 (E_RNA)
where:
Base-Base interactions energy: -323.146
where: short stacking energy: -144.660
Base-Backbone interact. energy: -0.666
local terms energy: -155.525811
where:
bonds (distance) C4'-P energy: -28.937
bonds (distance) P-C4' energy: -28.518
flat angles C4'-P-C4' energy: -37.322
flat angles P-C4'-P energy: -24.979
tors. eta vs tors. theta energy: -35.770
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: 269
Temperature: 1.100000
Total energy: -385.095832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.095832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.095832 (E_RNA)
where:
Base-Base interactions energy: -219.889
where: short stacking energy: -130.741
Base-Backbone interact. energy: -0.081
local terms energy: -165.125188
where:
bonds (distance) C4'-P energy: -29.490
bonds (distance) P-C4' energy: -37.001
flat angles C4'-P-C4' energy: -36.365
flat angles P-C4'-P energy: -26.816
tors. eta vs tors. theta energy: -35.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -391.217970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.217970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.217970 (E_RNA)
where:
Base-Base interactions energy: -249.695
where: short stacking energy: -117.527
Base-Backbone interact. energy: -0.994
local terms energy: -140.529554
where:
bonds (distance) C4'-P energy: -22.030
bonds (distance) P-C4' energy: -33.628
flat angles C4'-P-C4' energy: -36.580
flat angles P-C4'-P energy: -15.695
tors. eta vs tors. theta energy: -32.596
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: 2
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -336.098163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.098163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.098163 (E_RNA)
where:
Base-Base interactions energy: -205.825
where: short stacking energy: -102.473
Base-Backbone interact. energy: -0.456
local terms energy: -129.816602
where:
bonds (distance) C4'-P energy: -27.491
bonds (distance) P-C4' energy: -35.446
flat angles C4'-P-C4' energy: -33.222
flat angles P-C4'-P energy: -15.637
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: 3
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -317.262257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.262257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.262257 (E_RNA)
where:
Base-Base interactions energy: -194.665
where: short stacking energy: -100.943
Base-Backbone interact. energy: -1.501
local terms energy: -121.096037
where:
bonds (distance) C4'-P energy: -25.159
bonds (distance) P-C4' energy: -32.329
flat angles C4'-P-C4' energy: -30.226
flat angles P-C4'-P energy: -12.501
tors. eta vs tors. theta energy: -20.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -295.159367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.159367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.159367 (E_RNA)
where:
Base-Base interactions energy: -164.838
where: short stacking energy: -84.255
Base-Backbone interact. energy: -0.939
local terms energy: -129.383088
where:
bonds (distance) C4'-P energy: -27.556
bonds (distance) P-C4' energy: -34.769
flat angles C4'-P-C4' energy: -26.127
flat angles P-C4'-P energy: -22.097
tors. eta vs tors. theta energy: -18.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -211.402507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.402507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.402507 (E_RNA)
where:
Base-Base interactions energy: -103.379
where: short stacking energy: -61.104
Base-Backbone interact. energy: -0.323
local terms energy: -107.700294
where:
bonds (distance) C4'-P energy: -25.037
bonds (distance) P-C4' energy: -37.364
flat angles C4'-P-C4' energy: -22.950
flat angles P-C4'-P energy: -22.805
tors. eta vs tors. theta energy: 0.456
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: 1, replica: 5
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -574.182366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.182366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.182366 (E_RNA)
where:
Base-Base interactions energy: -377.917
where: short stacking energy: -191.052
Base-Backbone interact. energy: 0.143
local terms energy: -196.408069
where:
bonds (distance) C4'-P energy: -37.271
bonds (distance) P-C4' energy: -37.379
flat angles C4'-P-C4' energy: -40.082
flat angles P-C4'-P energy: -27.559
tors. eta vs tors. theta energy: -54.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -506.902556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.902556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.902556 (E_RNA)
where:
Base-Base interactions energy: -336.423
where: short stacking energy: -146.937
Base-Backbone interact. energy: -0.779
local terms energy: -169.700653
where:
bonds (distance) C4'-P energy: -38.796
bonds (distance) P-C4' energy: -35.201
flat angles C4'-P-C4' energy: -38.497
flat angles P-C4'-P energy: -20.950
tors. eta vs tors. theta energy: -36.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -499.138290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.138290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.138290 (E_RNA)
where:
Base-Base interactions energy: -327.110
where: short stacking energy: -150.025
Base-Backbone interact. energy: -1.154
local terms energy: -170.874556
where:
bonds (distance) C4'-P energy: -33.938
bonds (distance) P-C4' energy: -32.841
flat angles C4'-P-C4' energy: -37.026
flat angles P-C4'-P energy: -26.631
tors. eta vs tors. theta energy: -40.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -481.079953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.079953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.079953 (E_RNA)
where:
Base-Base interactions energy: -333.840
where: short stacking energy: -148.357
Base-Backbone interact. energy: -0.962
local terms energy: -146.277793
where:
bonds (distance) C4'-P energy: -30.402
bonds (distance) P-C4' energy: -27.549
flat angles C4'-P-C4' energy: -26.887
flat angles P-C4'-P energy: -22.599
tors. eta vs tors. theta energy: -38.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -417.174432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.174432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.174432 (E_RNA)
where:
Base-Base interactions energy: -272.747
where: short stacking energy: -118.373
Base-Backbone interact. energy: -0.718
local terms energy: -143.710101
where:
bonds (distance) C4'-P energy: -32.685
bonds (distance) P-C4' energy: -27.206
flat angles C4'-P-C4' energy: -40.051
flat angles P-C4'-P energy: -23.388
tors. eta vs tors. theta energy: -20.380
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: 6, replica: 8
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -367.161763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.161763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.161763 (E_RNA)
where:
Base-Base interactions energy: -224.041
where: short stacking energy: -117.107
Base-Backbone interact. energy: -0.230
local terms energy: -142.890813
where:
bonds (distance) C4'-P energy: -29.649
bonds (distance) P-C4' energy: -32.214
flat angles C4'-P-C4' energy: -35.279
flat angles P-C4'-P energy: -22.342
tors. eta vs tors. theta energy: -23.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -328.066972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.066972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.066972 (E_RNA)
where:
Base-Base interactions energy: -190.392
where: short stacking energy: -107.879
Base-Backbone interact. energy: 0.131
local terms energy: -137.805843
where:
bonds (distance) C4'-P energy: -34.845
bonds (distance) P-C4' energy: -28.158
flat angles C4'-P-C4' energy: -38.345
flat angles P-C4'-P energy: -15.592
tors. eta vs tors. theta energy: -20.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -329.290145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.290145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.290145 (E_RNA)
where:
Base-Base interactions energy: -194.225
where: short stacking energy: -100.172
Base-Backbone interact. energy: 0.046
local terms energy: -135.110697
where:
bonds (distance) C4'-P energy: -26.719
bonds (distance) P-C4' energy: -30.843
flat angles C4'-P-C4' energy: -31.463
flat angles P-C4'-P energy: -16.776
tors. eta vs tors. theta energy: -29.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -292.001547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.001547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.001547 (E_RNA)
where:
Base-Base interactions energy: -176.109
where: short stacking energy: -90.922
Base-Backbone interact. energy: -0.561
local terms energy: -115.331601
where:
bonds (distance) C4'-P energy: -27.238
bonds (distance) P-C4' energy: -32.176
flat angles C4'-P-C4' energy: -32.605
flat angles P-C4'-P energy: -13.423
tors. eta vs tors. theta energy: -9.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -212.914410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.914410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.914410 (E_RNA)
where:
Base-Base interactions energy: -108.815
where: short stacking energy: -65.048
Base-Backbone interact. energy: -0.830
local terms energy: -103.269866
where:
bonds (distance) C4'-P energy: -25.543
bonds (distance) P-C4' energy: -37.656
flat angles C4'-P-C4' energy: -26.041
flat angles P-C4'-P energy: -16.402
tors. eta vs tors. theta energy: 2.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -573.261875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.261875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.261875 (E_RNA)
where:
Base-Base interactions energy: -377.393
where: short stacking energy: -195.993
Base-Backbone interact. energy: 0.097
local terms energy: -195.965572
where:
bonds (distance) C4'-P energy: -34.624
bonds (distance) P-C4' energy: -35.259
flat angles C4'-P-C4' energy: -40.669
flat angles P-C4'-P energy: -28.651
tors. eta vs tors. theta energy: -56.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -511.346516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.346516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.346516 (E_RNA)
where:
Base-Base interactions energy: -346.320
where: short stacking energy: -167.303
Base-Backbone interact. energy: -0.215
local terms energy: -164.812375
where:
bonds (distance) C4'-P energy: -28.844
bonds (distance) P-C4' energy: -36.489
flat angles C4'-P-C4' energy: -40.269
flat angles P-C4'-P energy: -21.886
tors. eta vs tors. theta energy: -37.324
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: 6
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -509.729712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.729712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.729712 (E_RNA)
where:
Base-Base interactions energy: -332.509
where: short stacking energy: -163.226
Base-Backbone interact. energy: -1.380
local terms energy: -175.840782
where:
bonds (distance) C4'-P energy: -27.115
bonds (distance) P-C4' energy: -36.335
flat angles C4'-P-C4' energy: -39.498
flat angles P-C4'-P energy: -30.959
tors. eta vs tors. theta energy: -41.934
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: 271
Temperature: 1.050000
Total energy: -491.949857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.949857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.949857 (E_RNA)
where:
Base-Base interactions energy: -342.395
where: short stacking energy: -146.266
Base-Backbone interact. energy: 2.569
local terms energy: -152.123188
where:
bonds (distance) C4'-P energy: -35.957
bonds (distance) P-C4' energy: -27.937
flat angles C4'-P-C4' energy: -31.033
flat angles P-C4'-P energy: -23.747
tors. eta vs tors. theta energy: -33.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -392.606699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.606699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.606699 (E_RNA)
where:
Base-Base interactions energy: -249.329
where: short stacking energy: -123.162
Base-Backbone interact. energy: -1.373
local terms energy: -141.905133
where:
bonds (distance) C4'-P energy: -32.992
bonds (distance) P-C4' energy: -33.759
flat angles C4'-P-C4' energy: -30.850
flat angles P-C4'-P energy: -21.803
tors. eta vs tors. theta energy: -22.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -332.277210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.277210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.277210 (E_RNA)
where:
Base-Base interactions energy: -207.856
where: short stacking energy: -116.361
Base-Backbone interact. energy: -0.261
local terms energy: -124.160367
where:
bonds (distance) C4'-P energy: -29.502
bonds (distance) P-C4' energy: -28.426
flat angles C4'-P-C4' energy: -26.592
flat angles P-C4'-P energy: -20.112
tors. eta vs tors. theta energy: -19.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -344.682341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.682341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.682341 (E_RNA)
where:
Base-Base interactions energy: -201.012
where: short stacking energy: -97.931
Base-Backbone interact. energy: 0.059
local terms energy: -143.728528
where:
bonds (distance) C4'-P energy: -32.379
bonds (distance) P-C4' energy: -32.666
flat angles C4'-P-C4' energy: -38.947
flat angles P-C4'-P energy: -19.623
tors. eta vs tors. theta energy: -20.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -309.488981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.488981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.488981 (E_RNA)
where:
Base-Base interactions energy: -186.482
where: short stacking energy: -95.618
Base-Backbone interact. energy: -0.275
local terms energy: -122.732713
where:
bonds (distance) C4'-P energy: -23.385
bonds (distance) P-C4' energy: -25.114
flat angles C4'-P-C4' energy: -34.276
flat angles P-C4'-P energy: -19.346
tors. eta vs tors. theta energy: -20.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -314.445805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.445805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.445805 (E_RNA)
where:
Base-Base interactions energy: -189.973
where: short stacking energy: -97.557
Base-Backbone interact. energy: -0.394
local terms energy: -124.079068
where:
bonds (distance) C4'-P energy: -32.147
bonds (distance) P-C4' energy: -28.045
flat angles C4'-P-C4' energy: -28.859
flat angles P-C4'-P energy: -16.754
tors. eta vs tors. theta energy: -18.274
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: 10, replica: 7
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -242.324879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.324879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.324879 (E_RNA)
where:
Base-Base interactions energy: -130.533
where: short stacking energy: -86.556
Base-Backbone interact. energy: -0.209
local terms energy: -111.582777
where:
bonds (distance) C4'-P energy: -24.111
bonds (distance) P-C4' energy: -25.945
flat angles C4'-P-C4' energy: -35.005
flat angles P-C4'-P energy: -14.564
tors. eta vs tors. theta energy: -11.958
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: 5
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -567.956852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.956852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.956852 (E_RNA)
where:
Base-Base interactions energy: -377.238
where: short stacking energy: -196.788
Base-Backbone interact. energy: -0.008
local terms energy: -190.710843
where:
bonds (distance) C4'-P energy: -38.356
bonds (distance) P-C4' energy: -33.324
flat angles C4'-P-C4' energy: -39.824
flat angles P-C4'-P energy: -21.071
tors. eta vs tors. theta energy: -58.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -477.378783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.378783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.378783 (E_RNA)
where:
Base-Base interactions energy: -303.964
where: short stacking energy: -145.908
Base-Backbone interact. energy: -0.158
local terms energy: -173.257187
where:
bonds (distance) C4'-P energy: -33.958
bonds (distance) P-C4' energy: -38.348
flat angles C4'-P-C4' energy: -38.001
flat angles P-C4'-P energy: -23.070
tors. eta vs tors. theta energy: -39.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -522.694278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.694278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.694278 (E_RNA)
where:
Base-Base interactions energy: -345.817
where: short stacking energy: -162.406
Base-Backbone interact. energy: 0.633
local terms energy: -177.510086
where:
bonds (distance) C4'-P energy: -38.966
bonds (distance) P-C4' energy: -34.891
flat angles C4'-P-C4' energy: -37.402
flat angles P-C4'-P energy: -23.940
tors. eta vs tors. theta energy: -42.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -494.461855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.461855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.461855 (E_RNA)
where:
Base-Base interactions energy: -341.788
where: short stacking energy: -167.006
Base-Backbone interact. energy: -0.089
local terms energy: -152.585631
where:
bonds (distance) C4'-P energy: -25.699
bonds (distance) P-C4' energy: -30.030
flat angles C4'-P-C4' energy: -36.527
flat angles P-C4'-P energy: -17.329
tors. eta vs tors. theta energy: -43.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -403.913850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.913850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.913850 (E_RNA)
where:
Base-Base interactions energy: -274.698
where: short stacking energy: -139.808
Base-Backbone interact. energy: 0.795
local terms energy: -130.010600
where:
bonds (distance) C4'-P energy: -28.262
bonds (distance) P-C4' energy: -22.817
flat angles C4'-P-C4' energy: -32.109
flat angles P-C4'-P energy: -19.820
tors. eta vs tors. theta energy: -27.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -358.958778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.958778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.958778 (E_RNA)
where:
Base-Base interactions energy: -212.134
where: short stacking energy: -116.711
Base-Backbone interact. energy: -0.100
local terms energy: -146.724462
where:
bonds (distance) C4'-P energy: -30.821
bonds (distance) P-C4' energy: -32.897
flat angles C4'-P-C4' energy: -31.553
flat angles P-C4'-P energy: -25.428
tors. eta vs tors. theta energy: -26.024
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: 8
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -336.702693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.702693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.702693 (E_RNA)
where:
Base-Base interactions energy: -193.924
where: short stacking energy: -91.588
Base-Backbone interact. energy: 2.301
local terms energy: -145.079441
where:
bonds (distance) C4'-P energy: -36.510
bonds (distance) P-C4' energy: -39.692
flat angles C4'-P-C4' energy: -35.743
flat angles P-C4'-P energy: -14.660
tors. eta vs tors. theta energy: -18.474
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: 2
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -331.708445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.708445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.708445 (E_RNA)
where:
Base-Base interactions energy: -203.731
where: short stacking energy: -111.086
Base-Backbone interact. energy: 1.033
local terms energy: -129.010212
where:
bonds (distance) C4'-P energy: -26.211
bonds (distance) P-C4' energy: -36.668
flat angles C4'-P-C4' energy: -33.594
flat angles P-C4'-P energy: -13.872
tors. eta vs tors. theta energy: -18.665
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: 7
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -238.492317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.492317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.492317 (E_RNA)
where:
Base-Base interactions energy: -122.999
where: short stacking energy: -74.970
Base-Backbone interact. energy: -0.159
local terms energy: -115.334744
where:
bonds (distance) C4'-P energy: -25.861
bonds (distance) P-C4' energy: -40.228
flat angles C4'-P-C4' energy: -24.470
flat angles P-C4'-P energy: -14.607
tors. eta vs tors. theta energy: -10.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -285.586804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.586804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.586804 (E_RNA)
where:
Base-Base interactions energy: -163.749
where: short stacking energy: -74.024
Base-Backbone interact. energy: -0.605
local terms energy: -121.232310
where:
bonds (distance) C4'-P energy: -31.950
bonds (distance) P-C4' energy: -31.659
flat angles C4'-P-C4' energy: -25.903
flat angles P-C4'-P energy: -21.477
tors. eta vs tors. theta energy: -10.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -571.872629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.872629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.872629 (E_RNA)
where:
Base-Base interactions energy: -370.929
where: short stacking energy: -193.601
Base-Backbone interact. energy: -0.060
local terms energy: -200.883392
where:
bonds (distance) C4'-P energy: -36.271
bonds (distance) P-C4' energy: -40.901
flat angles C4'-P-C4' energy: -40.223
flat angles P-C4'-P energy: -28.930
tors. eta vs tors. theta energy: -54.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -536.701975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.701975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.701975 (E_RNA)
where:
Base-Base interactions energy: -358.194
where: short stacking energy: -170.931
Base-Backbone interact. energy: 1.654
local terms energy: -180.161570
where:
bonds (distance) C4'-P energy: -34.874
bonds (distance) P-C4' energy: -35.792
flat angles C4'-P-C4' energy: -36.307
flat angles P-C4'-P energy: -28.416
tors. eta vs tors. theta energy: -44.772
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: 9
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -471.302667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.302667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.302667 (E_RNA)
where:
Base-Base interactions energy: -312.124
where: short stacking energy: -132.981
Base-Backbone interact. energy: 1.585
local terms energy: -160.763193
where:
bonds (distance) C4'-P energy: -37.392
bonds (distance) P-C4' energy: -29.512
flat angles C4'-P-C4' energy: -37.318
flat angles P-C4'-P energy: -24.857
tors. eta vs tors. theta energy: -31.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -499.197714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.197714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.197714 (E_RNA)
where:
Base-Base interactions energy: -344.744
where: short stacking energy: -146.552
Base-Backbone interact. energy: -0.302
local terms energy: -154.151976
where:
bonds (distance) C4'-P energy: -29.065
bonds (distance) P-C4' energy: -35.304
flat angles C4'-P-C4' energy: -30.200
flat angles P-C4'-P energy: -22.918
tors. eta vs tors. theta energy: -36.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -412.170214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.170214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.170214 (E_RNA)
where:
Base-Base interactions energy: -265.566
where: short stacking energy: -118.600
Base-Backbone interact. energy: -1.336
local terms energy: -145.268450
where:
bonds (distance) C4'-P energy: -32.601
bonds (distance) P-C4' energy: -38.585
flat angles C4'-P-C4' energy: -33.967
flat angles P-C4'-P energy: -20.818
tors. eta vs tors. theta energy: -19.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -363.657253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.657253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.657253 (E_RNA)
where:
Base-Base interactions energy: -221.264
where: short stacking energy: -110.021
Base-Backbone interact. energy: -0.381
local terms energy: -142.012093
where:
bonds (distance) C4'-P energy: -35.656
bonds (distance) P-C4' energy: -29.491
flat angles C4'-P-C4' energy: -29.220
flat angles P-C4'-P energy: -27.589
tors. eta vs tors. theta energy: -20.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -338.475265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.475265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.475265 (E_RNA)
where:
Base-Base interactions energy: -204.203
where: short stacking energy: -113.067
Base-Backbone interact. energy: -0.688
local terms energy: -133.584094
where:
bonds (distance) C4'-P energy: -31.173
bonds (distance) P-C4' energy: -28.367
flat angles C4'-P-C4' energy: -23.266
flat angles P-C4'-P energy: -26.663
tors. eta vs tors. theta energy: -24.116
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: 8, replica: 2
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -303.640781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.640781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.640781 (E_RNA)
where:
Base-Base interactions energy: -180.264
where: short stacking energy: -97.219
Base-Backbone interact. energy: -0.024
local terms energy: -123.352403
where:
bonds (distance) C4'-P energy: -27.295
bonds (distance) P-C4' energy: -27.718
flat angles C4'-P-C4' energy: -27.771
flat angles P-C4'-P energy: -24.485
tors. eta vs tors. theta energy: -16.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -248.025101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.025101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.025101 (E_RNA)
where:
Base-Base interactions energy: -131.164
where: short stacking energy: -78.334
Base-Backbone interact. energy: -0.544
local terms energy: -116.316825
where:
bonds (distance) C4'-P energy: -32.063
bonds (distance) P-C4' energy: -25.543
flat angles C4'-P-C4' energy: -32.444
flat angles P-C4'-P energy: -15.352
tors. eta vs tors. theta energy: -10.916
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: 10
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -277.857777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.857777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.857777 (E_RNA)
where:
Base-Base interactions energy: -163.623
where: short stacking energy: -80.807
Base-Backbone interact. energy: 3.519
local terms energy: -117.753542
where:
bonds (distance) C4'-P energy: -19.716
bonds (distance) P-C4' energy: -33.593
flat angles C4'-P-C4' energy: -30.901
flat angles P-C4'-P energy: -24.358
tors. eta vs tors. theta energy: -9.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -571.179159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.179159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.179159 (E_RNA)
where:
Base-Base interactions energy: -376.869
where: short stacking energy: -189.807
Base-Backbone interact. energy: -0.028
local terms energy: -194.282237
where:
bonds (distance) C4'-P energy: -39.066
bonds (distance) P-C4' energy: -34.859
flat angles C4'-P-C4' energy: -39.384
flat angles P-C4'-P energy: -24.985
tors. eta vs tors. theta energy: -55.989
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: 4
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -530.641857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.641857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.641857 (E_RNA)
where:
Base-Base interactions energy: -353.573
where: short stacking energy: -166.766
Base-Backbone interact. energy: -0.936
local terms energy: -176.132747
where:
bonds (distance) C4'-P energy: -30.944
bonds (distance) P-C4' energy: -34.615
flat angles C4'-P-C4' energy: -43.204
flat angles P-C4'-P energy: -16.470
tors. eta vs tors. theta energy: -50.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -511.415651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.415651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.415651 (E_RNA)
where:
Base-Base interactions energy: -346.772
where: short stacking energy: -147.957
Base-Backbone interact. energy: -1.064
local terms energy: -163.579845
where:
bonds (distance) C4'-P energy: -33.061
bonds (distance) P-C4' energy: -33.345
flat angles C4'-P-C4' energy: -30.075
flat angles P-C4'-P energy: -29.997
tors. eta vs tors. theta energy: -37.101
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: 9
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -461.177210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.177210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.177210 (E_RNA)
where:
Base-Base interactions energy: -304.831
where: short stacking energy: -131.904
Base-Backbone interact. energy: -0.561
local terms energy: -155.784573
where:
bonds (distance) C4'-P energy: -32.771
bonds (distance) P-C4' energy: -28.104
flat angles C4'-P-C4' energy: -38.931
flat angles P-C4'-P energy: -22.849
tors. eta vs tors. theta energy: -33.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -398.968822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.968822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.968822 (E_RNA)
where:
Base-Base interactions energy: -256.488
where: short stacking energy: -137.882
Base-Backbone interact. energy: -0.545
local terms energy: -141.936414
where:
bonds (distance) C4'-P energy: -29.557
bonds (distance) P-C4' energy: -31.726
flat angles C4'-P-C4' energy: -32.620
flat angles P-C4'-P energy: -21.182
tors. eta vs tors. theta energy: -26.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -385.625450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.625450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.625450 (E_RNA)
where:
Base-Base interactions energy: -245.516
where: short stacking energy: -118.124
Base-Backbone interact. energy: -1.129
local terms energy: -138.980743
where:
bonds (distance) C4'-P energy: -29.351
bonds (distance) P-C4' energy: -31.242
flat angles C4'-P-C4' energy: -36.682
flat angles P-C4'-P energy: -18.705
tors. eta vs tors. theta energy: -23.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -349.091946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.091946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.091946 (E_RNA)
where:
Base-Base interactions energy: -214.094
where: short stacking energy: -114.312
Base-Backbone interact. energy: -0.929
local terms energy: -134.068806
where:
bonds (distance) C4'-P energy: -27.650
bonds (distance) P-C4' energy: -30.979
flat angles C4'-P-C4' energy: -36.505
flat angles P-C4'-P energy: -19.238
tors. eta vs tors. theta energy: -19.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -315.775896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.775896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.775896 (E_RNA)
where:
Base-Base interactions energy: -205.216
where: short stacking energy: -100.360
Base-Backbone interact. energy: 0.556
local terms energy: -111.116714
where:
bonds (distance) C4'-P energy: -28.884
bonds (distance) P-C4' energy: -25.710
flat angles C4'-P-C4' energy: -19.989
flat angles P-C4'-P energy: -18.406
tors. eta vs tors. theta energy: -18.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -272.216828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.216828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.216828 (E_RNA)
where:
Base-Base interactions energy: -140.998
where: short stacking energy: -83.234
Base-Backbone interact. energy: -0.209
local terms energy: -131.009993
where:
bonds (distance) C4'-P energy: -19.682
bonds (distance) P-C4' energy: -32.259
flat angles C4'-P-C4' energy: -32.011
flat angles P-C4'-P energy: -21.006
tors. eta vs tors. theta energy: -26.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -226.818142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.818142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.818142 (E_RNA)
where:
Base-Base interactions energy: -112.297
where: short stacking energy: -62.611
Base-Backbone interact. energy: -0.996
local terms energy: -113.524915
where:
bonds (distance) C4'-P energy: -27.991
bonds (distance) P-C4' energy: -23.369
flat angles C4'-P-C4' energy: -29.680
flat angles P-C4'-P energy: -19.251
tors. eta vs tors. theta energy: -13.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -577.181073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.181073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.181073 (E_RNA)
where:
Base-Base interactions energy: -378.019
where: short stacking energy: -187.723
Base-Backbone interact. energy: -0.108
local terms energy: -199.053429
where:
bonds (distance) C4'-P energy: -34.686
bonds (distance) P-C4' energy: -39.476
flat angles C4'-P-C4' energy: -38.636
flat angles P-C4'-P energy: -25.586
tors. eta vs tors. theta energy: -60.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -540.290545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.290545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.290545 (E_RNA)
where:
Base-Base interactions energy: -362.396
where: short stacking energy: -180.718
Base-Backbone interact. energy: -0.547
local terms energy: -177.347237
where:
bonds (distance) C4'-P energy: -32.186
bonds (distance) P-C4' energy: -35.119
flat angles C4'-P-C4' energy: -34.055
flat angles P-C4'-P energy: -29.337
tors. eta vs tors. theta energy: -46.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -521.316784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.316784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.316784 (E_RNA)
where:
Base-Base interactions energy: -347.626
where: short stacking energy: -155.964
Base-Backbone interact. energy: -0.947
local terms energy: -172.743131
where:
bonds (distance) C4'-P energy: -31.683
bonds (distance) P-C4' energy: -36.854
flat angles C4'-P-C4' energy: -40.581
flat angles P-C4'-P energy: -22.184
tors. eta vs tors. theta energy: -41.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -472.157044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.157044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.157044 (E_RNA)
where:
Base-Base interactions energy: -308.197
where: short stacking energy: -137.344
Base-Backbone interact. energy: -1.117
local terms energy: -162.843195
where:
bonds (distance) C4'-P energy: -39.197
bonds (distance) P-C4' energy: -29.124
flat angles C4'-P-C4' energy: -36.306
flat angles P-C4'-P energy: -20.138
tors. eta vs tors. theta energy: -38.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -384.382861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.382861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.382861 (E_RNA)
where:
Base-Base interactions energy: -238.327
where: short stacking energy: -123.787
Base-Backbone interact. energy: -0.435
local terms energy: -145.620415
where:
bonds (distance) C4'-P energy: -28.666
bonds (distance) P-C4' energy: -32.661
flat angles C4'-P-C4' energy: -29.694
flat angles P-C4'-P energy: -20.862
tors. eta vs tors. theta energy: -33.737
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: 3
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -356.142498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.142498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.142498 (E_RNA)
where:
Base-Base interactions energy: -218.116
where: short stacking energy: -105.398
Base-Backbone interact. energy: 0.046
local terms energy: -138.071923
where:
bonds (distance) C4'-P energy: -22.671
bonds (distance) P-C4' energy: -33.511
flat angles C4'-P-C4' energy: -35.786
flat angles P-C4'-P energy: -24.891
tors. eta vs tors. theta energy: -21.212
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: 8
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -347.500080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.500080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.500080 (E_RNA)
where:
Base-Base interactions energy: -214.782
where: short stacking energy: -111.026
Base-Backbone interact. energy: -2.175
local terms energy: -130.542419
where:
bonds (distance) C4'-P energy: -31.561
bonds (distance) P-C4' energy: -22.030
flat angles C4'-P-C4' energy: -30.387
flat angles P-C4'-P energy: -24.642
tors. eta vs tors. theta energy: -21.922
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: 2
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -323.128969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.128969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.128969 (E_RNA)
where:
Base-Base interactions energy: -205.355
where: short stacking energy: -106.167
Base-Backbone interact. energy: -0.263
local terms energy: -117.510889
where:
bonds (distance) C4'-P energy: -29.200
bonds (distance) P-C4' energy: -31.151
flat angles C4'-P-C4' energy: -31.352
flat angles P-C4'-P energy: -14.339
tors. eta vs tors. theta energy: -11.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -234.388294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.388294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.388294 (E_RNA)
where:
Base-Base interactions energy: -115.129
where: short stacking energy: -68.414
Base-Backbone interact. energy: -0.233
local terms energy: -119.026834
where:
bonds (distance) C4'-P energy: -24.767
bonds (distance) P-C4' energy: -32.763
flat angles C4'-P-C4' energy: -29.805
flat angles P-C4'-P energy: -17.102
tors. eta vs tors. theta energy: -14.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -264.986528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.986528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.986528 (E_RNA)
where:
Base-Base interactions energy: -163.354
where: short stacking energy: -88.352
Base-Backbone interact. energy: -0.532
local terms energy: -101.100413
where:
bonds (distance) C4'-P energy: -18.971
bonds (distance) P-C4' energy: -34.908
flat angles C4'-P-C4' energy: -30.105
flat angles P-C4'-P energy: -9.699
tors. eta vs tors. theta energy: -7.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -573.723760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.723760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.723760 (E_RNA)
where:
Base-Base interactions energy: -379.135
where: short stacking energy: -192.583
Base-Backbone interact. energy: 0.255
local terms energy: -194.843682
where:
bonds (distance) C4'-P energy: -31.384
bonds (distance) P-C4' energy: -33.183
flat angles C4'-P-C4' energy: -41.924
flat angles P-C4'-P energy: -27.691
tors. eta vs tors. theta energy: -60.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -532.001701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.001701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.001701 (E_RNA)
where:
Base-Base interactions energy: -353.795
where: short stacking energy: -168.461
Base-Backbone interact. energy: 0.404
local terms energy: -178.610872
where:
bonds (distance) C4'-P energy: -25.242
bonds (distance) P-C4' energy: -40.425
flat angles C4'-P-C4' energy: -43.973
flat angles P-C4'-P energy: -25.438
tors. eta vs tors. theta energy: -43.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -511.519783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.519783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.519783 (E_RNA)
where:
Base-Base interactions energy: -344.649
where: short stacking energy: -151.412
Base-Backbone interact. energy: 1.341
local terms energy: -168.211712
where:
bonds (distance) C4'-P energy: -30.689
bonds (distance) P-C4' energy: -37.605
flat angles C4'-P-C4' energy: -32.732
flat angles P-C4'-P energy: -24.178
tors. eta vs tors. theta energy: -43.008
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: 9
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -494.552287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.552287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.552287 (E_RNA)
where:
Base-Base interactions energy: -324.517
where: short stacking energy: -146.822
Base-Backbone interact. energy: -1.073
local terms energy: -168.962018
where:
bonds (distance) C4'-P energy: -31.561
bonds (distance) P-C4' energy: -38.846
flat angles C4'-P-C4' energy: -32.734
flat angles P-C4'-P energy: -31.246
tors. eta vs tors. theta energy: -34.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -402.817818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.817818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.817818 (E_RNA)
where:
Base-Base interactions energy: -252.352
where: short stacking energy: -130.035
Base-Backbone interact. energy: -0.231
local terms energy: -150.234415
where:
bonds (distance) C4'-P energy: -34.538
bonds (distance) P-C4' energy: -38.963
flat angles C4'-P-C4' energy: -30.444
flat angles P-C4'-P energy: -20.154
tors. eta vs tors. theta energy: -26.135
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: 3
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -365.902884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.902884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.902884 (E_RNA)
where:
Base-Base interactions energy: -220.475
where: short stacking energy: -116.607
Base-Backbone interact. energy: -0.267
local terms energy: -145.160868
where:
bonds (distance) C4'-P energy: -30.291
bonds (distance) P-C4' energy: -36.347
flat angles C4'-P-C4' energy: -30.902
flat angles P-C4'-P energy: -22.064
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: 7, replica: 2
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -337.874466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.874466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.874466 (E_RNA)
where:
Base-Base interactions energy: -206.541
where: short stacking energy: -100.437
Base-Backbone interact. energy: -0.390
local terms energy: -130.943658
where:
bonds (distance) C4'-P energy: -32.338
bonds (distance) P-C4' energy: -29.268
flat angles C4'-P-C4' energy: -23.695
flat angles P-C4'-P energy: -24.357
tors. eta vs tors. theta energy: -21.286
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: 8
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -327.879147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.879147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.879147 (E_RNA)
where:
Base-Base interactions energy: -211.553
where: short stacking energy: -98.716
Base-Backbone interact. energy: -0.918
local terms energy: -115.408285
where:
bonds (distance) C4'-P energy: -31.642
bonds (distance) P-C4' energy: -31.268
flat angles C4'-P-C4' energy: -29.267
flat angles P-C4'-P energy: -11.787
tors. eta vs tors. theta energy: -11.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -290.301586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.301586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.301586 (E_RNA)
where:
Base-Base interactions energy: -176.629
where: short stacking energy: -92.036
Base-Backbone interact. energy: 4.485
local terms energy: -118.157885
where:
bonds (distance) C4'-P energy: -32.474
bonds (distance) P-C4' energy: -35.125
flat angles C4'-P-C4' energy: -24.916
flat angles P-C4'-P energy: -16.757
tors. eta vs tors. theta energy: -8.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -221.143002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.143002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.143002 (E_RNA)
where:
Base-Base interactions energy: -118.561
where: short stacking energy: -74.027
Base-Backbone interact. energy: 0.132
local terms energy: -102.714407
where:
bonds (distance) C4'-P energy: -33.250
bonds (distance) P-C4' energy: -25.684
flat angles C4'-P-C4' energy: -21.521
flat angles P-C4'-P energy: -13.956
tors. eta vs tors. theta energy: -8.304
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: 5
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -581.662175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.662175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.662175 (E_RNA)
where:
Base-Base interactions energy: -384.816
where: short stacking energy: -196.064
Base-Backbone interact. energy: -0.171
local terms energy: -196.675449
where:
bonds (distance) C4'-P energy: -35.153
bonds (distance) P-C4' energy: -35.149
flat angles C4'-P-C4' energy: -36.833
flat angles P-C4'-P energy: -33.586
tors. eta vs tors. theta energy: -55.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -537.688955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.688955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.688955 (E_RNA)
where:
Base-Base interactions energy: -365.924
where: short stacking energy: -166.147
Base-Backbone interact. energy: -1.548
local terms energy: -170.216964
where:
bonds (distance) C4'-P energy: -28.433
bonds (distance) P-C4' energy: -38.435
flat angles C4'-P-C4' energy: -39.718
flat angles P-C4'-P energy: -20.890
tors. eta vs tors. theta energy: -42.741
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: 4
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -532.621908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.621908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.621908 (E_RNA)
where:
Base-Base interactions energy: -358.042
where: short stacking energy: -168.345
Base-Backbone interact. energy: -0.402
local terms energy: -174.178285
where:
bonds (distance) C4'-P energy: -25.872
bonds (distance) P-C4' energy: -32.286
flat angles C4'-P-C4' energy: -41.866
flat angles P-C4'-P energy: -28.973
tors. eta vs tors. theta energy: -45.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -435.533285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.533285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.533285 (E_RNA)
where:
Base-Base interactions energy: -278.309
where: short stacking energy: -122.184
Base-Backbone interact. energy: -1.658
local terms energy: -155.566240
where:
bonds (distance) C4'-P energy: -31.153
bonds (distance) P-C4' energy: -37.972
flat angles C4'-P-C4' energy: -32.147
flat angles P-C4'-P energy: -18.521
tors. eta vs tors. theta energy: -35.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -466.710313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.710313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.710313 (E_RNA)
where:
Base-Base interactions energy: -315.889
where: short stacking energy: -143.762
Base-Backbone interact. energy: -0.564
local terms energy: -150.256998
where:
bonds (distance) C4'-P energy: -31.967
bonds (distance) P-C4' energy: -25.392
flat angles C4'-P-C4' energy: -34.685
flat angles P-C4'-P energy: -20.738
tors. eta vs tors. theta energy: -37.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -358.199017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.199017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.199017 (E_RNA)
where:
Base-Base interactions energy: -215.232
where: short stacking energy: -109.530
Base-Backbone interact. energy: -0.506
local terms energy: -142.460226
where:
bonds (distance) C4'-P energy: -29.337
bonds (distance) P-C4' energy: -33.176
flat angles C4'-P-C4' energy: -30.774
flat angles P-C4'-P energy: -24.744
tors. eta vs tors. theta energy: -24.429
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: 2
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -317.943360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.943360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.943360 (E_RNA)
where:
Base-Base interactions energy: -204.986
where: short stacking energy: -113.682
Base-Backbone interact. energy: 2.305
local terms energy: -115.261950
where:
bonds (distance) C4'-P energy: -28.337
bonds (distance) P-C4' energy: -23.165
flat angles C4'-P-C4' energy: -32.967
flat angles P-C4'-P energy: -9.727
tors. eta vs tors. theta energy: -21.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -308.522456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.522456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.522456 (E_RNA)
where:
Base-Base interactions energy: -187.281
where: short stacking energy: -103.645
Base-Backbone interact. energy: -0.790
local terms energy: -120.451495
where:
bonds (distance) C4'-P energy: -19.278
bonds (distance) P-C4' energy: -26.133
flat angles C4'-P-C4' energy: -34.250
flat angles P-C4'-P energy: -22.718
tors. eta vs tors. theta energy: -18.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -309.865801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.865801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.865801 (E_RNA)
where:
Base-Base interactions energy: -187.171
where: short stacking energy: -94.639
Base-Backbone interact. energy: 3.707
local terms energy: -126.401780
where:
bonds (distance) C4'-P energy: -33.200
bonds (distance) P-C4' energy: -27.119
flat angles C4'-P-C4' energy: -30.962
flat angles P-C4'-P energy: -18.089
tors. eta vs tors. theta energy: -17.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -171.396148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.396148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.396148 (E_RNA)
where:
Base-Base interactions energy: -72.806
where: short stacking energy: -51.705
Base-Backbone interact. energy: -1.339
local terms energy: -97.251176
where:
bonds (distance) C4'-P energy: -37.695
bonds (distance) P-C4' energy: -22.602
flat angles C4'-P-C4' energy: -22.054
flat angles P-C4'-P energy: -22.130
tors. eta vs tors. theta energy: 7.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -584.286818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.286818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.286818 (E_RNA)
where:
Base-Base interactions energy: -385.979
where: short stacking energy: -198.517
Base-Backbone interact. energy: -0.060
local terms energy: -198.247490
where:
bonds (distance) C4'-P energy: -39.784
bonds (distance) P-C4' energy: -28.860
flat angles C4'-P-C4' energy: -40.986
flat angles P-C4'-P energy: -30.234
tors. eta vs tors. theta energy: -58.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -538.116068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.116068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.116068 (E_RNA)
where:
Base-Base interactions energy: -367.687
where: short stacking energy: -158.758
Base-Backbone interact. energy: -0.684
local terms energy: -169.744177
where:
bonds (distance) C4'-P energy: -28.719
bonds (distance) P-C4' energy: -40.934
flat angles C4'-P-C4' energy: -34.387
flat angles P-C4'-P energy: -24.833
tors. eta vs tors. theta energy: -40.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -521.089652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.089652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.089652 (E_RNA)
where:
Base-Base interactions energy: -346.452
where: short stacking energy: -173.823
Base-Backbone interact. energy: -1.905
local terms energy: -172.732542
where:
bonds (distance) C4'-P energy: -29.686
bonds (distance) P-C4' energy: -29.860
flat angles C4'-P-C4' energy: -36.014
flat angles P-C4'-P energy: -29.681
tors. eta vs tors. theta energy: -47.491
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: 4, replica: 1
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -436.113742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.113742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.113742 (E_RNA)
where:
Base-Base interactions energy: -279.504
where: short stacking energy: -139.844
Base-Backbone interact. energy: -0.305
local terms energy: -156.304523
where:
bonds (distance) C4'-P energy: -27.199
bonds (distance) P-C4' energy: -39.051
flat angles C4'-P-C4' energy: -36.871
flat angles P-C4'-P energy: -23.137
tors. eta vs tors. theta energy: -30.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -369.983364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.983364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.983364 (E_RNA)
where:
Base-Base interactions energy: -235.668
where: short stacking energy: -111.686
Base-Backbone interact. energy: -0.104
local terms energy: -134.211170
where:
bonds (distance) C4'-P energy: -34.043
bonds (distance) P-C4' energy: -30.753
flat angles C4'-P-C4' energy: -30.064
flat angles P-C4'-P energy: -18.937
tors. eta vs tors. theta energy: -20.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -469.846299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.846299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.846299 (E_RNA)
where:
Base-Base interactions energy: -317.229
where: short stacking energy: -142.063
Base-Backbone interact. energy: -0.579
local terms energy: -152.038072
where:
bonds (distance) C4'-P energy: -28.826
bonds (distance) P-C4' energy: -30.818
flat angles C4'-P-C4' energy: -35.720
flat angles P-C4'-P energy: -17.350
tors. eta vs tors. theta energy: -39.324
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: 2
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -302.617008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.617008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.617008 (E_RNA)
where:
Base-Base interactions energy: -193.278
where: short stacking energy: -98.791
Base-Backbone interact. energy: 0.107
local terms energy: -109.446135
where:
bonds (distance) C4'-P energy: -34.024
bonds (distance) P-C4' energy: -29.558
flat angles C4'-P-C4' energy: -22.993
flat angles P-C4'-P energy: -12.333
tors. eta vs tors. theta energy: -10.537
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: 278
Temperature: 1.250000
Total energy: -283.994063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.994063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.994063 (E_RNA)
where:
Base-Base interactions energy: -151.708
where: short stacking energy: -92.675
Base-Backbone interact. energy: -0.485
local terms energy: -131.800918
where:
bonds (distance) C4'-P energy: -28.825
bonds (distance) P-C4' energy: -29.575
flat angles C4'-P-C4' energy: -29.685
flat angles P-C4'-P energy: -23.906
tors. eta vs tors. theta energy: -19.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -326.116505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.116505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.116505 (E_RNA)
where:
Base-Base interactions energy: -196.934
where: short stacking energy: -88.206
Base-Backbone interact. energy: -0.199
local terms energy: -128.983293
where:
bonds (distance) C4'-P energy: -23.081
bonds (distance) P-C4' energy: -38.113
flat angles C4'-P-C4' energy: -29.143
flat angles P-C4'-P energy: -16.984
tors. eta vs tors. theta energy: -21.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -154.692019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.692019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.692019 (E_RNA)
where:
Base-Base interactions energy: -52.511
where: short stacking energy: -32.605
Base-Backbone interact. energy: -0.449
local terms energy: -101.732260
where:
bonds (distance) C4'-P energy: -28.143
bonds (distance) P-C4' energy: -29.621
flat angles C4'-P-C4' energy: -35.263
flat angles P-C4'-P energy: -20.956
tors. eta vs tors. theta energy: 12.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -558.872565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.872565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.872565 (E_RNA)
where:
Base-Base interactions energy: -375.290
where: short stacking energy: -182.098
Base-Backbone interact. energy: 0.070
local terms energy: -183.651923
where:
bonds (distance) C4'-P energy: -38.084
bonds (distance) P-C4' energy: -34.140
flat angles C4'-P-C4' energy: -37.466
flat angles P-C4'-P energy: -22.691
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: 2, replica: 6
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -520.549434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.549434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.549434 (E_RNA)
where:
Base-Base interactions energy: -342.364
where: short stacking energy: -149.139
Base-Backbone interact. energy: -0.634
local terms energy: -177.551156
where:
bonds (distance) C4'-P energy: -35.491
bonds (distance) P-C4' energy: -39.104
flat angles C4'-P-C4' energy: -38.529
flat angles P-C4'-P energy: -22.844
tors. eta vs tors. theta energy: -41.583
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: 3, replica: 4
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -514.054243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.054243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.054243 (E_RNA)
where:
Base-Base interactions energy: -349.509
where: short stacking energy: -160.877
Base-Backbone interact. energy: 1.853
local terms energy: -166.397693
where:
bonds (distance) C4'-P energy: -28.452
bonds (distance) P-C4' energy: -33.830
flat angles C4'-P-C4' energy: -39.740
flat angles P-C4'-P energy: -23.249
tors. eta vs tors. theta energy: -41.126
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: 1
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -444.197443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.197443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.197443 (E_RNA)
where:
Base-Base interactions energy: -283.747
where: short stacking energy: -129.098
Base-Backbone interact. energy: -1.200
local terms energy: -159.250405
where:
bonds (distance) C4'-P energy: -34.803
bonds (distance) P-C4' energy: -28.524
flat angles C4'-P-C4' energy: -36.240
flat angles P-C4'-P energy: -27.728
tors. eta vs tors. theta energy: -31.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -369.457406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.457406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.457406 (E_RNA)
where:
Base-Base interactions energy: -212.971
where: short stacking energy: -122.868
Base-Backbone interact. energy: -0.233
local terms energy: -156.253452
where:
bonds (distance) C4'-P energy: -36.971
bonds (distance) P-C4' energy: -30.224
flat angles C4'-P-C4' energy: -37.378
flat angles P-C4'-P energy: -19.078
tors. eta vs tors. theta energy: -32.603
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: 9
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -440.948339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.948339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.948339 (E_RNA)
where:
Base-Base interactions energy: -296.171
where: short stacking energy: -117.840
Base-Backbone interact. energy: -1.484
local terms energy: -143.293194
where:
bonds (distance) C4'-P energy: -29.344
bonds (distance) P-C4' energy: -26.156
flat angles C4'-P-C4' energy: -32.666
flat angles P-C4'-P energy: -28.381
tors. eta vs tors. theta energy: -26.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -314.337252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.337252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.337252 (E_RNA)
where:
Base-Base interactions energy: -200.786
where: short stacking energy: -118.914
Base-Backbone interact. energy: -0.515
local terms energy: -113.036545
where:
bonds (distance) C4'-P energy: -22.003
bonds (distance) P-C4' energy: -28.197
flat angles C4'-P-C4' energy: -29.018
flat angles P-C4'-P energy: -12.367
tors. eta vs tors. theta energy: -21.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -347.202141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.202141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.202141 (E_RNA)
where:
Base-Base interactions energy: -202.742
where: short stacking energy: -95.848
Base-Backbone interact. energy: 1.395
local terms energy: -145.855359
where:
bonds (distance) C4'-P energy: -27.513
bonds (distance) P-C4' energy: -36.233
flat angles C4'-P-C4' energy: -36.792
flat angles P-C4'-P energy: -26.005
tors. eta vs tors. theta energy: -19.314
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: 279
Temperature: 1.300000
Total energy: -237.064276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.064276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.064276 (E_RNA)
where:
Base-Base interactions energy: -117.620
where: short stacking energy: -62.969
Base-Backbone interact. energy: -0.785
local terms energy: -118.659076
where:
bonds (distance) C4'-P energy: -30.525
bonds (distance) P-C4' energy: -25.976
flat angles C4'-P-C4' energy: -28.094
flat angles P-C4'-P energy: -23.626
tors. eta vs tors. theta energy: -10.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -160.865799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.865799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.865799 (E_RNA)
where:
Base-Base interactions energy: -66.709
where: short stacking energy: -45.304
Base-Backbone interact. energy: -1.017
local terms energy: -93.140016
where:
bonds (distance) C4'-P energy: -25.413
bonds (distance) P-C4' energy: -35.776
flat angles C4'-P-C4' energy: -29.360
flat angles P-C4'-P energy: -7.191
tors. eta vs tors. theta energy: 4.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -566.789494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.789494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.789494 (E_RNA)
where:
Base-Base interactions energy: -376.613
where: short stacking energy: -189.014
Base-Backbone interact. energy: -0.176
local terms energy: -190.000559
where:
bonds (distance) C4'-P energy: -30.384
bonds (distance) P-C4' energy: -36.765
flat angles C4'-P-C4' energy: -38.039
flat angles P-C4'-P energy: -27.194
tors. eta vs tors. theta energy: -57.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -524.728934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.728934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.728934 (E_RNA)
where:
Base-Base interactions energy: -356.384
where: short stacking energy: -160.426
Base-Backbone interact. energy: -0.612
local terms energy: -167.733207
where:
bonds (distance) C4'-P energy: -37.882
bonds (distance) P-C4' energy: -37.763
flat angles C4'-P-C4' energy: -29.923
flat angles P-C4'-P energy: -24.433
tors. eta vs tors. theta energy: -37.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -515.793907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.793907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.793907 (E_RNA)
where:
Base-Base interactions energy: -344.232
where: short stacking energy: -153.534
Base-Backbone interact. energy: -0.047
local terms energy: -171.514913
where:
bonds (distance) C4'-P energy: -35.522
bonds (distance) P-C4' energy: -30.799
flat angles C4'-P-C4' energy: -38.143
flat angles P-C4'-P energy: -21.583
tors. eta vs tors. theta energy: -45.468
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: 1
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -438.921118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.921118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.921118 (E_RNA)
where:
Base-Base interactions energy: -286.052
where: short stacking energy: -139.562
Base-Backbone interact. energy: -1.122
local terms energy: -151.747475
where:
bonds (distance) C4'-P energy: -24.885
bonds (distance) P-C4' energy: -30.607
flat angles C4'-P-C4' energy: -38.538
flat angles P-C4'-P energy: -23.222
tors. eta vs tors. theta energy: -34.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -446.766976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.766976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.766976 (E_RNA)
where:
Base-Base interactions energy: -304.085
where: short stacking energy: -131.353
Base-Backbone interact. energy: -0.971
local terms energy: -141.710956
where:
bonds (distance) C4'-P energy: -23.815
bonds (distance) P-C4' energy: -33.245
flat angles C4'-P-C4' energy: -34.412
flat angles P-C4'-P energy: -18.499
tors. eta vs tors. theta energy: -31.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -360.022534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.022534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.022534 (E_RNA)
where:
Base-Base interactions energy: -212.942
where: short stacking energy: -123.585
Base-Backbone interact. energy: -0.421
local terms energy: -146.660112
where:
bonds (distance) C4'-P energy: -26.035
bonds (distance) P-C4' energy: -34.318
flat angles C4'-P-C4' energy: -33.083
flat angles P-C4'-P energy: -19.549
tors. eta vs tors. theta energy: -33.675
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: 7, replica: 8
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -349.762833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.762833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.762833 (E_RNA)
where:
Base-Base interactions energy: -211.963
where: short stacking energy: -103.047
Base-Backbone interact. energy: -0.292
local terms energy: -137.507869
where:
bonds (distance) C4'-P energy: -34.225
bonds (distance) P-C4' energy: -34.133
flat angles C4'-P-C4' energy: -28.760
flat angles P-C4'-P energy: -18.142
tors. eta vs tors. theta energy: -22.248
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: 2
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -311.065430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.065430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.065430 (E_RNA)
where:
Base-Base interactions energy: -185.383
where: short stacking energy: -100.220
Base-Backbone interact. energy: 0.066
local terms energy: -125.748693
where:
bonds (distance) C4'-P energy: -29.670
bonds (distance) P-C4' energy: -21.751
flat angles C4'-P-C4' energy: -32.522
flat angles P-C4'-P energy: -19.732
tors. eta vs tors. theta energy: -22.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -227.703027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.703027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.703027 (E_RNA)
where:
Base-Base interactions energy: -118.572
where: short stacking energy: -72.298
Base-Backbone interact. energy: -0.776
local terms energy: -108.354892
where:
bonds (distance) C4'-P energy: -26.551
bonds (distance) P-C4' energy: -32.807
flat angles C4'-P-C4' energy: -25.982
flat angles P-C4'-P energy: -15.852
tors. eta vs tors. theta energy: -7.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -167.803595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.803595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.803595 (E_RNA)
where:
Base-Base interactions energy: -54.606
where: short stacking energy: -54.606
Base-Backbone interact. energy: -0.612
local terms energy: -112.585618
where:
bonds (distance) C4'-P energy: -31.615
bonds (distance) P-C4' energy: -34.592
flat angles C4'-P-C4' energy: -28.343
flat angles P-C4'-P energy: -8.741
tors. eta vs tors. theta energy: -9.295
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: 5
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -561.876869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.876869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.876869 (E_RNA)
where:
Base-Base interactions energy: -376.244
where: short stacking energy: -185.630
Base-Backbone interact. energy: -0.060
local terms energy: -185.572988
where:
bonds (distance) C4'-P energy: -33.347
bonds (distance) P-C4' energy: -29.359
flat angles C4'-P-C4' energy: -41.453
flat angles P-C4'-P energy: -26.970
tors. eta vs tors. theta energy: -54.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -519.498420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.498420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.498420 (E_RNA)
where:
Base-Base interactions energy: -347.455
where: short stacking energy: -157.468
Base-Backbone interact. energy: 0.670
local terms energy: -172.713300
where:
bonds (distance) C4'-P energy: -36.713
bonds (distance) P-C4' energy: -34.606
flat angles C4'-P-C4' energy: -34.615
flat angles P-C4'-P energy: -26.961
tors. eta vs tors. theta energy: -39.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -499.517121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.517121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.517121 (E_RNA)
where:
Base-Base interactions energy: -338.373
where: short stacking energy: -148.796
Base-Backbone interact. energy: 1.040
local terms energy: -162.184717
where:
bonds (distance) C4'-P energy: -32.545
bonds (distance) P-C4' energy: -35.738
flat angles C4'-P-C4' energy: -33.651
flat angles P-C4'-P energy: -22.145
tors. eta vs tors. theta energy: -38.106
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: 9
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -456.840709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.840709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.840709 (E_RNA)
where:
Base-Base interactions energy: -292.088
where: short stacking energy: -141.381
Base-Backbone interact. energy: -0.599
local terms energy: -164.154102
where:
bonds (distance) C4'-P energy: -30.805
bonds (distance) P-C4' energy: -36.077
flat angles C4'-P-C4' energy: -35.164
flat angles P-C4'-P energy: -21.297
tors. eta vs tors. theta energy: -40.811
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: 1
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -417.113106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.113106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.113106 (E_RNA)
where:
Base-Base interactions energy: -279.420
where: short stacking energy: -141.189
Base-Backbone interact. energy: -1.579
local terms energy: -136.114175
where:
bonds (distance) C4'-P energy: -30.739
bonds (distance) P-C4' energy: -25.137
flat angles C4'-P-C4' energy: -28.447
flat angles P-C4'-P energy: -14.273
tors. eta vs tors. theta energy: -37.518
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: 3
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -372.910282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.910282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.910282 (E_RNA)
where:
Base-Base interactions energy: -227.579
where: short stacking energy: -125.885
Base-Backbone interact. energy: 0.209
local terms energy: -145.540261
where:
bonds (distance) C4'-P energy: -21.378
bonds (distance) P-C4' energy: -30.600
flat angles C4'-P-C4' energy: -37.848
flat angles P-C4'-P energy: -24.132
tors. eta vs tors. theta energy: -31.582
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: 8
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -339.380226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.380226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.380226 (E_RNA)
where:
Base-Base interactions energy: -196.759
where: short stacking energy: -94.554
Base-Backbone interact. energy: -0.075
local terms energy: -142.546328
where:
bonds (distance) C4'-P energy: -36.176
bonds (distance) P-C4' energy: -30.637
flat angles C4'-P-C4' energy: -27.992
flat angles P-C4'-P energy: -23.313
tors. eta vs tors. theta energy: -24.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -307.244764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.244764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.244764 (E_RNA)
where:
Base-Base interactions energy: -183.082
where: short stacking energy: -90.815
Base-Backbone interact. energy: -0.534
local terms energy: -123.629284
where:
bonds (distance) C4'-P energy: -31.533
bonds (distance) P-C4' energy: -30.771
flat angles C4'-P-C4' energy: -32.243
flat angles P-C4'-P energy: -20.560
tors. eta vs tors. theta energy: -8.522
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: 7
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -222.317896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.317896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.317896 (E_RNA)
where:
Base-Base interactions energy: -107.422
where: short stacking energy: -60.044
Base-Backbone interact. energy: -0.439
local terms energy: -114.457112
where:
bonds (distance) C4'-P energy: -32.739
bonds (distance) P-C4' energy: -36.544
flat angles C4'-P-C4' energy: -27.158
flat angles P-C4'-P energy: -8.790
tors. eta vs tors. theta energy: -9.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -156.692515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.692515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.692515 (E_RNA)
where:
Base-Base interactions energy: -52.167
where: short stacking energy: -45.789
Base-Backbone interact. energy: 2.190
local terms energy: -106.715553
where:
bonds (distance) C4'-P energy: -25.492
bonds (distance) P-C4' energy: -36.462
flat angles C4'-P-C4' energy: -29.117
flat angles P-C4'-P energy: -16.816
tors. eta vs tors. theta energy: 1.171
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: 5
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -580.383753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.383753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.383753 (E_RNA)
where:
Base-Base interactions energy: -378.923
where: short stacking energy: -197.199
Base-Backbone interact. energy: -0.060
local terms energy: -201.400794
where:
bonds (distance) C4'-P energy: -35.922
bonds (distance) P-C4' energy: -35.558
flat angles C4'-P-C4' energy: -42.603
flat angles P-C4'-P energy: -29.411
tors. eta vs tors. theta energy: -57.906
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: 6
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -517.318569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.318569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.318569 (E_RNA)
where:
Base-Base interactions energy: -345.940
where: short stacking energy: -169.310
Base-Backbone interact. energy: -0.622
local terms energy: -170.756756
where:
bonds (distance) C4'-P energy: -25.667
bonds (distance) P-C4' energy: -37.131
flat angles C4'-P-C4' energy: -38.421
flat angles P-C4'-P energy: -26.718
tors. eta vs tors. theta energy: -42.820
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: 282
Temperature: 1.000000
Total energy: -469.396856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.396856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.396856 (E_RNA)
where:
Base-Base interactions energy: -308.525
where: short stacking energy: -160.453
Base-Backbone interact. energy: -0.800
local terms energy: -160.072505
where:
bonds (distance) C4'-P energy: -28.987
bonds (distance) P-C4' energy: -35.359
flat angles C4'-P-C4' energy: -33.605
flat angles P-C4'-P energy: -25.617
tors. eta vs tors. theta energy: -36.504
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: 4, replica: 4
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -499.588330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.588330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.588330 (E_RNA)
where:
Base-Base interactions energy: -334.498
where: short stacking energy: -150.762
Base-Backbone interact. energy: -0.992
local terms energy: -164.098265
where:
bonds (distance) C4'-P energy: -29.698
bonds (distance) P-C4' energy: -33.813
flat angles C4'-P-C4' energy: -34.704
flat angles P-C4'-P energy: -25.145
tors. eta vs tors. theta energy: -40.738
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: 282
Temperature: 1.100000
Total energy: -447.802180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.802180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.802180 (E_RNA)
where:
Base-Base interactions energy: -284.603
where: short stacking energy: -136.761
Base-Backbone interact. energy: -0.688
local terms energy: -162.511766
where:
bonds (distance) C4'-P energy: -33.272
bonds (distance) P-C4' energy: -35.643
flat angles C4'-P-C4' energy: -36.073
flat angles P-C4'-P energy: -21.521
tors. eta vs tors. theta energy: -36.003
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: 3
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -364.543087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.543087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.543087 (E_RNA)
where:
Base-Base interactions energy: -215.771
where: short stacking energy: -124.543
Base-Backbone interact. energy: -1.619
local terms energy: -147.153683
where:
bonds (distance) C4'-P energy: -33.514
bonds (distance) P-C4' energy: -29.532
flat angles C4'-P-C4' energy: -31.061
flat angles P-C4'-P energy: -22.143
tors. eta vs tors. theta energy: -30.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -364.044070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.044070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.044070 (E_RNA)
where:
Base-Base interactions energy: -221.536
where: short stacking energy: -116.852
Base-Backbone interact. energy: -0.300
local terms energy: -142.208781
where:
bonds (distance) C4'-P energy: -15.108
bonds (distance) P-C4' energy: -37.330
flat angles C4'-P-C4' energy: -29.520
flat angles P-C4'-P energy: -27.815
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: 8, replica: 2
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -318.972097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.972097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.972097 (E_RNA)
where:
Base-Base interactions energy: -187.177
where: short stacking energy: -94.538
Base-Backbone interact. energy: -0.281
local terms energy: -131.513277
where:
bonds (distance) C4'-P energy: -30.039
bonds (distance) P-C4' energy: -34.710
flat angles C4'-P-C4' energy: -31.329
flat angles P-C4'-P energy: -26.952
tors. eta vs tors. theta energy: -8.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -237.552882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.552882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.552882 (E_RNA)
where:
Base-Base interactions energy: -130.055
where: short stacking energy: -70.991
Base-Backbone interact. energy: -0.518
local terms energy: -106.979003
where:
bonds (distance) C4'-P energy: -28.358
bonds (distance) P-C4' energy: -33.385
flat angles C4'-P-C4' energy: -20.764
flat angles P-C4'-P energy: -21.017
tors. eta vs tors. theta energy: -3.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -157.742273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.742273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.742273 (E_RNA)
where:
Base-Base interactions energy: -63.492
where: short stacking energy: -45.608
Base-Backbone interact. energy: 0.842
local terms energy: -95.092264
where:
bonds (distance) C4'-P energy: -31.574
bonds (distance) P-C4' energy: -37.498
flat angles C4'-P-C4' energy: -23.761
flat angles P-C4'-P energy: -9.104
tors. eta vs tors. theta energy: 6.845
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: 5
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -578.234955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.234955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.234955 (E_RNA)
where:
Base-Base interactions energy: -380.009
where: short stacking energy: -191.620
Base-Backbone interact. energy: -0.314
local terms energy: -197.911726
where:
bonds (distance) C4'-P energy: -38.651
bonds (distance) P-C4' energy: -36.765
flat angles C4'-P-C4' energy: -39.415
flat angles P-C4'-P energy: -25.894
tors. eta vs tors. theta energy: -57.186
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: 6
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -548.999281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.999281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.999281 (E_RNA)
where:
Base-Base interactions energy: -367.753
where: short stacking energy: -161.058
Base-Backbone interact. energy: -0.401
local terms energy: -180.845439
where:
bonds (distance) C4'-P energy: -35.495
bonds (distance) P-C4' energy: -36.530
flat angles C4'-P-C4' energy: -37.306
flat angles P-C4'-P energy: -28.708
tors. eta vs tors. theta energy: -42.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -496.047653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.047653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.047653 (E_RNA)
where:
Base-Base interactions energy: -330.434
where: short stacking energy: -142.796
Base-Backbone interact. energy: -0.894
local terms energy: -164.719555
where:
bonds (distance) C4'-P energy: -26.102
bonds (distance) P-C4' energy: -34.827
flat angles C4'-P-C4' energy: -40.269
flat angles P-C4'-P energy: -25.091
tors. eta vs tors. theta energy: -38.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -511.330558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.330558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.330558 (E_RNA)
where:
Base-Base interactions energy: -347.695
where: short stacking energy: -159.424
Base-Backbone interact. energy: -0.939
local terms energy: -162.696845
where:
bonds (distance) C4'-P energy: -31.915
bonds (distance) P-C4' energy: -30.632
flat angles C4'-P-C4' energy: -36.821
flat angles P-C4'-P energy: -17.786
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: 5, replica: 1
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -439.760544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.760544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.760544 (E_RNA)
where:
Base-Base interactions energy: -281.300
where: short stacking energy: -133.628
Base-Backbone interact. energy: -0.200
local terms energy: -158.260881
where:
bonds (distance) C4'-P energy: -28.511
bonds (distance) P-C4' energy: -30.146
flat angles C4'-P-C4' energy: -38.519
flat angles P-C4'-P energy: -25.340
tors. eta vs tors. theta energy: -35.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -369.117802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.117802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.117802 (E_RNA)
where:
Base-Base interactions energy: -216.400
where: short stacking energy: -123.601
Base-Backbone interact. energy: -0.093
local terms energy: -152.625534
where:
bonds (distance) C4'-P energy: -36.861
bonds (distance) P-C4' energy: -35.440
flat angles C4'-P-C4' energy: -26.639
flat angles P-C4'-P energy: -28.924
tors. eta vs tors. theta energy: -24.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -351.569822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.569822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.569822 (E_RNA)
where:
Base-Base interactions energy: -217.759
where: short stacking energy: -116.226
Base-Backbone interact. energy: 0.582
local terms energy: -134.393364
where:
bonds (distance) C4'-P energy: -29.666
bonds (distance) P-C4' energy: -28.905
flat angles C4'-P-C4' energy: -34.888
flat angles P-C4'-P energy: -17.640
tors. eta vs tors. theta energy: -23.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -327.434450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.434450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.434450 (E_RNA)
where:
Base-Base interactions energy: -204.930
where: short stacking energy: -99.856
Base-Backbone interact. energy: -0.400
local terms energy: -122.104704
where:
bonds (distance) C4'-P energy: -19.046
bonds (distance) P-C4' energy: -35.847
flat angles C4'-P-C4' energy: -29.001
flat angles P-C4'-P energy: -22.181
tors. eta vs tors. theta energy: -16.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -232.227147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.227147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.227147 (E_RNA)
where:
Base-Base interactions energy: -120.577
where: short stacking energy: -73.688
Base-Backbone interact. energy: -0.329
local terms energy: -111.321824
where:
bonds (distance) C4'-P energy: -26.621
bonds (distance) P-C4' energy: -31.966
flat angles C4'-P-C4' energy: -30.285
flat angles P-C4'-P energy: -11.148
tors. eta vs tors. theta energy: -11.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -181.441970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.441970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.441970 (E_RNA)
where:
Base-Base interactions energy: -81.587
where: short stacking energy: -53.360
Base-Backbone interact. energy: -0.637
local terms energy: -99.217711
where:
bonds (distance) C4'-P energy: -28.107
bonds (distance) P-C4' energy: -31.526
flat angles C4'-P-C4' energy: -22.585
flat angles P-C4'-P energy: -13.595
tors. eta vs tors. theta energy: -3.405
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: 5
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -572.596303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.596303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.596303 (E_RNA)
where:
Base-Base interactions energy: -387.875
where: short stacking energy: -190.084
Base-Backbone interact. energy: -0.922
local terms energy: -183.800000
where:
bonds (distance) C4'-P energy: -30.702
bonds (distance) P-C4' energy: -37.353
flat angles C4'-P-C4' energy: -38.808
flat angles P-C4'-P energy: -24.183
tors. eta vs tors. theta energy: -52.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -532.299075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.299075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.299075 (E_RNA)
where:
Base-Base interactions energy: -361.668
where: short stacking energy: -163.133
Base-Backbone interact. energy: -0.576
local terms energy: -170.055170
where:
bonds (distance) C4'-P energy: -32.246
bonds (distance) P-C4' energy: -32.342
flat angles C4'-P-C4' energy: -40.650
flat angles P-C4'-P energy: -27.636
tors. eta vs tors. theta energy: -37.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -502.674220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.674220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.674220 (E_RNA)
where:
Base-Base interactions energy: -328.232
where: short stacking energy: -150.973
Base-Backbone interact. energy: -0.921
local terms energy: -173.520387
where:
bonds (distance) C4'-P energy: -30.296
bonds (distance) P-C4' energy: -38.167
flat angles C4'-P-C4' energy: -39.084
flat angles P-C4'-P energy: -19.745
tors. eta vs tors. theta energy: -46.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -461.489356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.489356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.489356 (E_RNA)
where:
Base-Base interactions energy: -314.009
where: short stacking energy: -132.688
Base-Backbone interact. energy: -0.862
local terms energy: -146.618237
where:
bonds (distance) C4'-P energy: -23.593
bonds (distance) P-C4' energy: -36.609
flat angles C4'-P-C4' energy: -36.761
flat angles P-C4'-P energy: -18.519
tors. eta vs tors. theta energy: -31.137
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: 5, replica: 1
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -445.950121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.950121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.950121 (E_RNA)
where:
Base-Base interactions energy: -287.673
where: short stacking energy: -142.181
Base-Backbone interact. energy: -0.414
local terms energy: -157.862950
where:
bonds (distance) C4'-P energy: -29.646
bonds (distance) P-C4' energy: -35.138
flat angles C4'-P-C4' energy: -38.664
flat angles P-C4'-P energy: -19.612
tors. eta vs tors. theta energy: -34.804
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: 6, replica: 8
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -345.730121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.730121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.730121 (E_RNA)
where:
Base-Base interactions energy: -215.776
where: short stacking energy: -115.095
Base-Backbone interact. energy: -0.457
local terms energy: -129.497750
where:
bonds (distance) C4'-P energy: -25.560
bonds (distance) P-C4' energy: -31.223
flat angles C4'-P-C4' energy: -26.986
flat angles P-C4'-P energy: -22.001
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: 7, replica: 2
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -357.793982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.793982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.793982 (E_RNA)
where:
Base-Base interactions energy: -204.257
where: short stacking energy: -101.356
Base-Backbone interact. energy: -0.301
local terms energy: -153.235511
where:
bonds (distance) C4'-P energy: -32.199
bonds (distance) P-C4' energy: -36.938
flat angles C4'-P-C4' energy: -35.465
flat angles P-C4'-P energy: -19.475
tors. eta vs tors. theta energy: -29.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -316.090523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.090523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.090523 (E_RNA)
where:
Base-Base interactions energy: -194.673
where: short stacking energy: -94.969
Base-Backbone interact. energy: -0.382
local terms energy: -121.034905
where:
bonds (distance) C4'-P energy: -20.748
bonds (distance) P-C4' energy: -31.373
flat angles C4'-P-C4' energy: -32.835
flat angles P-C4'-P energy: -17.192
tors. eta vs tors. theta energy: -18.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -166.977805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.977805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.977805 (E_RNA)
where:
Base-Base interactions energy: -59.737
where: short stacking energy: -59.501
Base-Backbone interact. energy: -0.167
local terms energy: -107.073351
where:
bonds (distance) C4'-P energy: -32.002
bonds (distance) P-C4' energy: -30.170
flat angles C4'-P-C4' energy: -19.357
flat angles P-C4'-P energy: -14.883
tors. eta vs tors. theta energy: -10.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -217.352815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.352815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.352815 (E_RNA)
where:
Base-Base interactions energy: -112.918
where: short stacking energy: -71.480
Base-Backbone interact. energy: -0.529
local terms energy: -103.906221
where:
bonds (distance) C4'-P energy: -27.107
bonds (distance) P-C4' energy: -22.980
flat angles C4'-P-C4' energy: -28.057
flat angles P-C4'-P energy: -19.361
tors. eta vs tors. theta energy: -6.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -574.852278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.852278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.852278 (E_RNA)
where:
Base-Base interactions energy: -383.721
where: short stacking energy: -190.320
Base-Backbone interact. energy: -0.068
local terms energy: -191.063498
where:
bonds (distance) C4'-P energy: -34.129
bonds (distance) P-C4' energy: -32.185
flat angles C4'-P-C4' energy: -39.071
flat angles P-C4'-P energy: -27.534
tors. eta vs tors. theta energy: -58.143
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: 6
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -517.418097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.418097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.418097 (E_RNA)
where:
Base-Base interactions energy: -348.945
where: short stacking energy: -159.671
Base-Backbone interact. energy: 0.628
local terms energy: -169.101016
where:
bonds (distance) C4'-P energy: -33.275
bonds (distance) P-C4' energy: -33.561
flat angles C4'-P-C4' energy: -37.062
flat angles P-C4'-P energy: -24.721
tors. eta vs tors. theta energy: -40.482
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: 3, replica: 4
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -528.456633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.456633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.456633 (E_RNA)
where:
Base-Base interactions energy: -352.890
where: short stacking energy: -162.583
Base-Backbone interact. energy: -0.292
local terms energy: -175.274192
where:
bonds (distance) C4'-P energy: -29.853
bonds (distance) P-C4' energy: -38.492
flat angles C4'-P-C4' energy: -38.952
flat angles P-C4'-P energy: -22.529
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: 1
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -465.967447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.967447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.967447 (E_RNA)
where:
Base-Base interactions energy: -300.709
where: short stacking energy: -145.414
Base-Backbone interact. energy: -0.782
local terms energy: -164.476160
where:
bonds (distance) C4'-P energy: -29.667
bonds (distance) P-C4' energy: -34.679
flat angles C4'-P-C4' energy: -37.038
flat angles P-C4'-P energy: -25.000
tors. eta vs tors. theta energy: -38.092
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: 9
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -428.596787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.596787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.596787 (E_RNA)
where:
Base-Base interactions energy: -261.191
where: short stacking energy: -135.426
Base-Backbone interact. energy: -0.711
local terms energy: -166.694042
where:
bonds (distance) C4'-P energy: -31.009
bonds (distance) P-C4' energy: -38.004
flat angles C4'-P-C4' energy: -35.104
flat angles P-C4'-P energy: -26.730
tors. eta vs tors. theta energy: -35.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -348.499359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.499359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.499359 (E_RNA)
where:
Base-Base interactions energy: -206.763
where: short stacking energy: -109.308
Base-Backbone interact. energy: -0.163
local terms energy: -141.573193
where:
bonds (distance) C4'-P energy: -27.752
bonds (distance) P-C4' energy: -27.694
flat angles C4'-P-C4' energy: -34.002
flat angles P-C4'-P energy: -26.287
tors. eta vs tors. theta energy: -25.839
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: 8
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -332.910269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.910269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.910269 (E_RNA)
where:
Base-Base interactions energy: -199.088
where: short stacking energy: -101.352
Base-Backbone interact. energy: 0.488
local terms energy: -134.310128
where:
bonds (distance) C4'-P energy: -31.183
bonds (distance) P-C4' energy: -28.588
flat angles C4'-P-C4' energy: -33.308
flat angles P-C4'-P energy: -20.060
tors. eta vs tors. theta energy: -21.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -312.308983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.308983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.308983 (E_RNA)
where:
Base-Base interactions energy: -186.369
where: short stacking energy: -91.619
Base-Backbone interact. energy: -0.476
local terms energy: -125.463834
where:
bonds (distance) C4'-P energy: -30.584
bonds (distance) P-C4' energy: -31.313
flat angles C4'-P-C4' energy: -33.149
flat angles P-C4'-P energy: -17.446
tors. eta vs tors. theta energy: -12.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -174.075452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.075452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.075452 (E_RNA)
where:
Base-Base interactions energy: -62.570
where: short stacking energy: -61.664
Base-Backbone interact. energy: -0.612
local terms energy: -110.893365
where:
bonds (distance) C4'-P energy: -24.724
bonds (distance) P-C4' energy: -32.801
flat angles C4'-P-C4' energy: -26.037
flat angles P-C4'-P energy: -14.077
tors. eta vs tors. theta energy: -13.255
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: 285
Temperature: 1.350000
Total energy: -223.508934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.508934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.508934 (E_RNA)
where:
Base-Base interactions energy: -109.498
where: short stacking energy: -62.334
Base-Backbone interact. energy: -0.984
local terms energy: -113.027050
where:
bonds (distance) C4'-P energy: -30.128
bonds (distance) P-C4' energy: -27.475
flat angles C4'-P-C4' energy: -33.447
flat angles P-C4'-P energy: -16.257
tors. eta vs tors. theta energy: -5.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -575.317536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.317536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.317536 (E_RNA)
where:
Base-Base interactions energy: -381.315
where: short stacking energy: -207.037
Base-Backbone interact. energy: -0.175
local terms energy: -193.827792
where:
bonds (distance) C4'-P energy: -35.498
bonds (distance) P-C4' energy: -31.259
flat angles C4'-P-C4' energy: -40.746
flat angles P-C4'-P energy: -29.950
tors. eta vs tors. theta energy: -56.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -522.558137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.558137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.558137 (E_RNA)
where:
Base-Base interactions energy: -350.337
where: short stacking energy: -166.878
Base-Backbone interact. energy: 0.717
local terms energy: -172.938044
where:
bonds (distance) C4'-P energy: -38.109
bonds (distance) P-C4' energy: -30.593
flat angles C4'-P-C4' energy: -38.635
flat angles P-C4'-P energy: -22.889
tors. eta vs tors. theta energy: -42.713
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: 4
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -511.706102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.706102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.706102 (E_RNA)
where:
Base-Base interactions energy: -354.404
where: short stacking energy: -163.582
Base-Backbone interact. energy: -0.689
local terms energy: -156.613184
where:
bonds (distance) C4'-P energy: -28.328
bonds (distance) P-C4' energy: -29.616
flat angles C4'-P-C4' energy: -35.262
flat angles P-C4'-P energy: -24.599
tors. eta vs tors. theta energy: -38.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -473.004246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.004246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.004246 (E_RNA)
where:
Base-Base interactions energy: -312.699
where: short stacking energy: -145.974
Base-Backbone interact. energy: -1.161
local terms energy: -159.144348
where:
bonds (distance) C4'-P energy: -27.194
bonds (distance) P-C4' energy: -28.257
flat angles C4'-P-C4' energy: -36.589
flat angles P-C4'-P energy: -21.392
tors. eta vs tors. theta energy: -45.712
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: 9
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -405.866550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.866550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.866550 (E_RNA)
where:
Base-Base interactions energy: -262.797
where: short stacking energy: -127.535
Base-Backbone interact. energy: -0.613
local terms energy: -142.457154
where:
bonds (distance) C4'-P energy: -35.241
bonds (distance) P-C4' energy: -34.522
flat angles C4'-P-C4' energy: -26.589
flat angles P-C4'-P energy: -14.541
tors. eta vs tors. theta energy: -31.563
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: 2
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -364.812833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.812833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.812833 (E_RNA)
where:
Base-Base interactions energy: -225.050
where: short stacking energy: -126.061
Base-Backbone interact. energy: -0.379
local terms energy: -139.384127
where:
bonds (distance) C4'-P energy: -27.034
bonds (distance) P-C4' energy: -32.471
flat angles C4'-P-C4' energy: -33.540
flat angles P-C4'-P energy: -20.289
tors. eta vs tors. theta energy: -26.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -338.454617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.454617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.454617 (E_RNA)
where:
Base-Base interactions energy: -221.061
where: short stacking energy: -94.683
Base-Backbone interact. energy: -0.205
local terms energy: -117.188914
where:
bonds (distance) C4'-P energy: -23.073
bonds (distance) P-C4' energy: -31.523
flat angles C4'-P-C4' energy: -33.687
flat angles P-C4'-P energy: -10.533
tors. eta vs tors. theta energy: -18.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -319.329085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.329085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.329085 (E_RNA)
where:
Base-Base interactions energy: -189.115
where: short stacking energy: -91.571
Base-Backbone interact. energy: -0.669
local terms energy: -129.545402
where:
bonds (distance) C4'-P energy: -26.417
bonds (distance) P-C4' energy: -30.380
flat angles C4'-P-C4' energy: -29.815
flat angles P-C4'-P energy: -20.929
tors. eta vs tors. theta energy: -22.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -242.174062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.174062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.174062 (E_RNA)
where:
Base-Base interactions energy: -126.019
where: short stacking energy: -84.505
Base-Backbone interact. energy: 0.534
local terms energy: -116.689537
where:
bonds (distance) C4'-P energy: -35.309
bonds (distance) P-C4' energy: -32.942
flat angles C4'-P-C4' energy: -27.141
flat angles P-C4'-P energy: -9.456
tors. eta vs tors. theta energy: -11.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -171.817241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.817241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.817241 (E_RNA)
where:
Base-Base interactions energy: -64.783
where: short stacking energy: -61.043
Base-Backbone interact. energy: 2.286
local terms energy: -109.320413
where:
bonds (distance) C4'-P energy: -37.150
bonds (distance) P-C4' energy: -24.042
flat angles C4'-P-C4' energy: -23.451
flat angles P-C4'-P energy: -23.887
tors. eta vs tors. theta energy: -0.789
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: 1, replica: 5
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -581.187621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.187621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.187621 (E_RNA)
where:
Base-Base interactions energy: -389.577
where: short stacking energy: -201.100
Base-Backbone interact. energy: -0.951
local terms energy: -190.660333
where:
bonds (distance) C4'-P energy: -34.200
bonds (distance) P-C4' energy: -32.099
flat angles C4'-P-C4' energy: -40.800
flat angles P-C4'-P energy: -27.393
tors. eta vs tors. theta energy: -56.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -523.087809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.087809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.087809 (E_RNA)
where:
Base-Base interactions energy: -356.451
where: short stacking energy: -170.170
Base-Backbone interact. energy: 0.502
local terms energy: -167.139411
where:
bonds (distance) C4'-P energy: -26.410
bonds (distance) P-C4' energy: -28.814
flat angles C4'-P-C4' energy: -40.031
flat angles P-C4'-P energy: -28.303
tors. eta vs tors. theta energy: -43.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -522.196192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.196192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.196192 (E_RNA)
where:
Base-Base interactions energy: -352.044
where: short stacking energy: -168.072
Base-Backbone interact. energy: -0.913
local terms energy: -169.239128
where:
bonds (distance) C4'-P energy: -30.028
bonds (distance) P-C4' energy: -34.722
flat angles C4'-P-C4' energy: -38.963
flat angles P-C4'-P energy: -22.107
tors. eta vs tors. theta energy: -43.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -411.074955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.074955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.074955 (E_RNA)
where:
Base-Base interactions energy: -266.303
where: short stacking energy: -120.622
Base-Backbone interact. energy: 1.303
local terms energy: -146.075460
where:
bonds (distance) C4'-P energy: -31.748
bonds (distance) P-C4' energy: -33.066
flat angles C4'-P-C4' energy: -28.079
flat angles P-C4'-P energy: -27.928
tors. eta vs tors. theta energy: -25.254
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: 5, replica: 1
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -442.698628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.698628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.698628 (E_RNA)
where:
Base-Base interactions energy: -288.034
where: short stacking energy: -138.166
Base-Backbone interact. energy: -1.086
local terms energy: -153.578013
where:
bonds (distance) C4'-P energy: -28.606
bonds (distance) P-C4' energy: -32.511
flat angles C4'-P-C4' energy: -37.388
flat angles P-C4'-P energy: -23.037
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: 6, replica: 2
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -376.611673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.611673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.611673 (E_RNA)
where:
Base-Base interactions energy: -244.290
where: short stacking energy: -129.533
Base-Backbone interact. energy: -1.881
local terms energy: -130.440594
where:
bonds (distance) C4'-P energy: -24.313
bonds (distance) P-C4' energy: -24.407
flat angles C4'-P-C4' energy: -26.337
flat angles P-C4'-P energy: -24.520
tors. eta vs tors. theta energy: -30.864
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: 8
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -352.751716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.751716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.751716 (E_RNA)
where:
Base-Base interactions energy: -217.259
where: short stacking energy: -108.247
Base-Backbone interact. energy: 1.119
local terms energy: -136.611314
where:
bonds (distance) C4'-P energy: -31.585
bonds (distance) P-C4' energy: -31.397
flat angles C4'-P-C4' energy: -32.236
flat angles P-C4'-P energy: -19.353
tors. eta vs tors. theta energy: -22.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -343.496273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.496273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.496273 (E_RNA)
where:
Base-Base interactions energy: -208.068
where: short stacking energy: -112.687
Base-Backbone interact. energy: 1.158
local terms energy: -136.586509
where:
bonds (distance) C4'-P energy: -33.015
bonds (distance) P-C4' energy: -31.304
flat angles C4'-P-C4' energy: -31.228
flat angles P-C4'-P energy: -9.167
tors. eta vs tors. theta energy: -31.873
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: 9, replica: 7
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -227.422011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.422011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.422011 (E_RNA)
where:
Base-Base interactions energy: -111.671
where: short stacking energy: -70.814
Base-Backbone interact. energy: -0.422
local terms energy: -115.328673
where:
bonds (distance) C4'-P energy: -21.460
bonds (distance) P-C4' energy: -31.453
flat angles C4'-P-C4' energy: -29.652
flat angles P-C4'-P energy: -22.009
tors. eta vs tors. theta energy: -10.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -152.600101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.600101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.600101 (E_RNA)
where:
Base-Base interactions energy: -59.803
where: short stacking energy: -54.411
Base-Backbone interact. energy: -0.625
local terms energy: -92.172065
where:
bonds (distance) C4'-P energy: -33.668
bonds (distance) P-C4' energy: -26.767
flat angles C4'-P-C4' energy: -21.847
flat angles P-C4'-P energy: -13.184
tors. eta vs tors. theta energy: 3.294
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: 1, replica: 5
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -582.792534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.792534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.792534 (E_RNA)
where:
Base-Base interactions energy: -390.371
where: short stacking energy: -186.923
Base-Backbone interact. energy: -0.426
local terms energy: -191.995192
where:
bonds (distance) C4'-P energy: -33.283
bonds (distance) P-C4' energy: -37.901
flat angles C4'-P-C4' energy: -37.959
flat angles P-C4'-P energy: -23.515
tors. eta vs tors. theta energy: -59.338
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: 6
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -539.994475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.994475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.994475 (E_RNA)
where:
Base-Base interactions energy: -361.527
where: short stacking energy: -167.403
Base-Backbone interact. energy: -1.192
local terms energy: -177.275556
where:
bonds (distance) C4'-P energy: -31.787
bonds (distance) P-C4' energy: -37.249
flat angles C4'-P-C4' energy: -40.374
flat angles P-C4'-P energy: -24.855
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: 3, replica: 4
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -534.575425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.575425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.575425 (E_RNA)
where:
Base-Base interactions energy: -361.332
where: short stacking energy: -167.971
Base-Backbone interact. energy: -0.156
local terms energy: -173.087392
where:
bonds (distance) C4'-P energy: -32.762
bonds (distance) P-C4' energy: -30.051
flat angles C4'-P-C4' energy: -36.125
flat angles P-C4'-P energy: -28.386
tors. eta vs tors. theta energy: -45.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -399.809950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.809950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.809950 (E_RNA)
where:
Base-Base interactions energy: -250.013
where: short stacking energy: -110.283
Base-Backbone interact. energy: 0.612
local terms energy: -150.409372
where:
bonds (distance) C4'-P energy: -34.767
bonds (distance) P-C4' energy: -30.255
flat angles C4'-P-C4' energy: -34.859
flat angles P-C4'-P energy: -23.480
tors. eta vs tors. theta energy: -27.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -379.544413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.544413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.544413 (E_RNA)
where:
Base-Base interactions energy: -240.046
where: short stacking energy: -141.413
Base-Backbone interact. energy: -0.423
local terms energy: -139.075554
where:
bonds (distance) C4'-P energy: -30.180
bonds (distance) P-C4' energy: -23.686
flat angles C4'-P-C4' energy: -37.634
flat angles P-C4'-P energy: -17.785
tors. eta vs tors. theta energy: -29.791
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: 6, replica: 1
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -411.773959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.773959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.773959 (E_RNA)
where:
Base-Base interactions energy: -264.807
where: short stacking energy: -111.419
Base-Backbone interact. energy: -1.434
local terms energy: -145.532468
where:
bonds (distance) C4'-P energy: -30.942
bonds (distance) P-C4' energy: -32.506
flat angles C4'-P-C4' energy: -33.384
flat angles P-C4'-P energy: -21.656
tors. eta vs tors. theta energy: -27.044
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: 8
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -352.549506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.549506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.549506 (E_RNA)
where:
Base-Base interactions energy: -207.410
where: short stacking energy: -102.722
Base-Backbone interact. energy: -0.239
local terms energy: -144.901159
where:
bonds (distance) C4'-P energy: -30.671
bonds (distance) P-C4' energy: -33.060
flat angles C4'-P-C4' energy: -33.239
flat angles P-C4'-P energy: -26.815
tors. eta vs tors. theta energy: -21.116
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: 8, replica: 3
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -318.986379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.986379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.986379 (E_RNA)
where:
Base-Base interactions energy: -191.056
where: short stacking energy: -92.992
Base-Backbone interact. energy: -0.290
local terms energy: -127.640044
where:
bonds (distance) C4'-P energy: -27.536
bonds (distance) P-C4' energy: -36.813
flat angles C4'-P-C4' energy: -30.259
flat angles P-C4'-P energy: -21.692
tors. eta vs tors. theta energy: -11.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -192.977267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.977267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.977267 (E_RNA)
where:
Base-Base interactions energy: -94.566
where: short stacking energy: -52.923
Base-Backbone interact. energy: 0.919
local terms energy: -99.329990
where:
bonds (distance) C4'-P energy: -32.968
bonds (distance) P-C4' energy: -27.652
flat angles C4'-P-C4' energy: -21.355
flat angles P-C4'-P energy: -17.318
tors. eta vs tors. theta energy: -0.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -170.474403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.474403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.474403 (E_RNA)
where:
Base-Base interactions energy: -65.046
where: short stacking energy: -52.415
Base-Backbone interact. energy: 1.461
local terms energy: -106.889941
where:
bonds (distance) C4'-P energy: -30.751
bonds (distance) P-C4' energy: -33.605
flat angles C4'-P-C4' energy: -26.005
flat angles P-C4'-P energy: -16.037
tors. eta vs tors. theta energy: -0.492
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: 5
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -581.343687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.343687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.343687 (E_RNA)
where:
Base-Base interactions energy: -384.396
where: short stacking energy: -195.162
Base-Backbone interact. energy: -0.176
local terms energy: -196.771405
where:
bonds (distance) C4'-P energy: -36.725
bonds (distance) P-C4' energy: -38.605
flat angles C4'-P-C4' energy: -39.592
flat angles P-C4'-P energy: -29.564
tors. eta vs tors. theta energy: -52.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -551.217395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.217395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.217395 (E_RNA)
where:
Base-Base interactions energy: -372.326
where: short stacking energy: -180.633
Base-Backbone interact. energy: -0.855
local terms energy: -178.036185
where:
bonds (distance) C4'-P energy: -33.707
bonds (distance) P-C4' energy: -32.994
flat angles C4'-P-C4' energy: -36.362
flat angles P-C4'-P energy: -29.575
tors. eta vs tors. theta energy: -45.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -538.548689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.548689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.548689 (E_RNA)
where:
Base-Base interactions energy: -361.724
where: short stacking energy: -164.598
Base-Backbone interact. energy: -0.087
local terms energy: -176.737429
where:
bonds (distance) C4'-P energy: -29.201
bonds (distance) P-C4' energy: -34.619
flat angles C4'-P-C4' energy: -38.850
flat angles P-C4'-P energy: -25.789
tors. eta vs tors. theta energy: -48.278
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: 2
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -409.738037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.738037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.738037 (E_RNA)
where:
Base-Base interactions energy: -249.105
where: short stacking energy: -142.081
Base-Backbone interact. energy: -0.047
local terms energy: -160.586726
where:
bonds (distance) C4'-P energy: -34.129
bonds (distance) P-C4' energy: -37.050
flat angles C4'-P-C4' energy: -36.642
flat angles P-C4'-P energy: -19.701
tors. eta vs tors. theta energy: -33.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -407.116535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.116535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.116535 (E_RNA)
where:
Base-Base interactions energy: -251.860
where: short stacking energy: -122.672
Base-Backbone interact. energy: -0.621
local terms energy: -154.635087
where:
bonds (distance) C4'-P energy: -27.513
bonds (distance) P-C4' energy: -37.964
flat angles C4'-P-C4' energy: -36.191
flat angles P-C4'-P energy: -19.098
tors. eta vs tors. theta energy: -33.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -423.405654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.405654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.405654 (E_RNA)
where:
Base-Base interactions energy: -274.765
where: short stacking energy: -135.387
Base-Backbone interact. energy: -0.101
local terms energy: -148.539152
where:
bonds (distance) C4'-P energy: -32.791
bonds (distance) P-C4' energy: -25.905
flat angles C4'-P-C4' energy: -33.714
flat angles P-C4'-P energy: -22.819
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: 7, replica: 8
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -348.420463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.420463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.420463 (E_RNA)
where:
Base-Base interactions energy: -210.805
where: short stacking energy: -109.149
Base-Backbone interact. energy: -0.352
local terms energy: -137.264162
where:
bonds (distance) C4'-P energy: -32.162
bonds (distance) P-C4' energy: -35.329
flat angles C4'-P-C4' energy: -28.946
flat angles P-C4'-P energy: -16.209
tors. eta vs tors. theta energy: -24.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -333.380469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.380469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.380469 (E_RNA)
where:
Base-Base interactions energy: -211.380
where: short stacking energy: -95.264
Base-Backbone interact. energy: -0.389
local terms energy: -121.611010
where:
bonds (distance) C4'-P energy: -34.182
bonds (distance) P-C4' energy: -27.896
flat angles C4'-P-C4' energy: -31.515
flat angles P-C4'-P energy: -20.435
tors. eta vs tors. theta energy: -7.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -170.866538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.866538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.866538 (E_RNA)
where:
Base-Base interactions energy: -63.986
where: short stacking energy: -64.186
Base-Backbone interact. energy: -0.071
local terms energy: -106.809947
where:
bonds (distance) C4'-P energy: -28.328
bonds (distance) P-C4' energy: -29.369
flat angles C4'-P-C4' energy: -26.421
flat angles P-C4'-P energy: -18.115
tors. eta vs tors. theta energy: -4.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -192.428869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.428869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.428869 (E_RNA)
where:
Base-Base interactions energy: -101.781
where: short stacking energy: -56.317
Base-Backbone interact. energy: 0.032
local terms energy: -90.679967
where:
bonds (distance) C4'-P energy: -18.872
bonds (distance) P-C4' energy: -28.221
flat angles C4'-P-C4' energy: -32.771
flat angles P-C4'-P energy: -12.524
tors. eta vs tors. theta energy: 1.708
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: 5
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -571.086694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.086694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.086694 (E_RNA)
where:
Base-Base interactions energy: -379.629
where: short stacking energy: -194.033
Base-Backbone interact. energy: -0.390
local terms energy: -191.067639
where:
bonds (distance) C4'-P energy: -31.997
bonds (distance) P-C4' energy: -36.861
flat angles C4'-P-C4' energy: -41.293
flat angles P-C4'-P energy: -26.119
tors. eta vs tors. theta energy: -54.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -532.982069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.982069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.982069 (E_RNA)
where:
Base-Base interactions energy: -359.641
where: short stacking energy: -158.301
Base-Backbone interact. energy: -0.396
local terms energy: -172.945386
where:
bonds (distance) C4'-P energy: -33.473
bonds (distance) P-C4' energy: -32.485
flat angles C4'-P-C4' energy: -35.083
flat angles P-C4'-P energy: -25.960
tors. eta vs tors. theta energy: -45.945
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: 4
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -536.090063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.090063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.090063 (E_RNA)
where:
Base-Base interactions energy: -369.342
where: short stacking energy: -191.053
Base-Backbone interact. energy: 0.212
local terms energy: -166.960496
where:
bonds (distance) C4'-P energy: -24.165
bonds (distance) P-C4' energy: -30.276
flat angles C4'-P-C4' energy: -38.798
flat angles P-C4'-P energy: -24.992
tors. eta vs tors. theta energy: -48.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -433.176313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.176313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.176313 (E_RNA)
where:
Base-Base interactions energy: -261.354
where: short stacking energy: -148.058
Base-Backbone interact. energy: -0.043
local terms energy: -171.778797
where:
bonds (distance) C4'-P energy: -32.895
bonds (distance) P-C4' energy: -36.420
flat angles C4'-P-C4' energy: -34.256
flat angles P-C4'-P energy: -28.050
tors. eta vs tors. theta energy: -40.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -454.057469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.057469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.057469 (E_RNA)
where:
Base-Base interactions energy: -291.783
where: short stacking energy: -139.813
Base-Backbone interact. energy: -0.595
local terms energy: -161.679306
where:
bonds (distance) C4'-P energy: -32.817
bonds (distance) P-C4' energy: -32.935
flat angles C4'-P-C4' energy: -30.218
flat angles P-C4'-P energy: -27.997
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: 6, replica: 9
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -407.330190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.330190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.330190 (E_RNA)
where:
Base-Base interactions energy: -269.992
where: short stacking energy: -125.360
Base-Backbone interact. energy: -0.506
local terms energy: -136.832078
where:
bonds (distance) C4'-P energy: -28.788
bonds (distance) P-C4' energy: -28.284
flat angles C4'-P-C4' energy: -35.910
flat angles P-C4'-P energy: -16.255
tors. eta vs tors. theta energy: -27.596
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: 8
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -341.491356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.491356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.491356 (E_RNA)
where:
Base-Base interactions energy: -207.671
where: short stacking energy: -107.704
Base-Backbone interact. energy: -0.105
local terms energy: -133.714649
where:
bonds (distance) C4'-P energy: -27.947
bonds (distance) P-C4' energy: -31.329
flat angles C4'-P-C4' energy: -31.433
flat angles P-C4'-P energy: -17.892
tors. eta vs tors. theta energy: -25.114
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: 3
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -331.928725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.928725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.928725 (E_RNA)
where:
Base-Base interactions energy: -220.350
where: short stacking energy: -112.612
Base-Backbone interact. energy: 0.573
local terms energy: -112.151976
where:
bonds (distance) C4'-P energy: -19.924
bonds (distance) P-C4' energy: -30.464
flat angles C4'-P-C4' energy: -21.986
flat angles P-C4'-P energy: -17.145
tors. eta vs tors. theta energy: -22.633
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: 290
Temperature: 1.300000
Total energy: -246.545916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.545916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.545916 (E_RNA)
where:
Base-Base interactions energy: -118.700
where: short stacking energy: -77.136
Base-Backbone interact. energy: -0.050
local terms energy: -127.796170
where:
bonds (distance) C4'-P energy: -28.032
bonds (distance) P-C4' energy: -31.905
flat angles C4'-P-C4' energy: -29.747
flat angles P-C4'-P energy: -23.949
tors. eta vs tors. theta energy: -14.163
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: 7
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -167.959234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.959234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.959234 (E_RNA)
where:
Base-Base interactions energy: -61.482
where: short stacking energy: -52.357
Base-Backbone interact. energy: 0.552
local terms energy: -107.028892
where:
bonds (distance) C4'-P energy: -27.128
bonds (distance) P-C4' energy: -30.583
flat angles C4'-P-C4' energy: -25.602
flat angles P-C4'-P energy: -12.522
tors. eta vs tors. theta energy: -11.193
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: 5
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -575.693603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.693603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.693603 (E_RNA)
where:
Base-Base interactions energy: -381.978
where: short stacking energy: -199.007
Base-Backbone interact. energy: -0.101
local terms energy: -193.614310
where:
bonds (distance) C4'-P energy: -31.211
bonds (distance) P-C4' energy: -38.614
flat angles C4'-P-C4' energy: -38.856
flat angles P-C4'-P energy: -27.822
tors. eta vs tors. theta energy: -57.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -532.952728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.952728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.952728 (E_RNA)
where:
Base-Base interactions energy: -368.164
where: short stacking energy: -167.633
Base-Backbone interact. energy: 2.074
local terms energy: -166.863030
where:
bonds (distance) C4'-P energy: -34.212
bonds (distance) P-C4' energy: -32.998
flat angles C4'-P-C4' energy: -34.170
flat angles P-C4'-P energy: -22.159
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: 3, replica: 4
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -529.378225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.378225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.378225 (E_RNA)
where:
Base-Base interactions energy: -344.245
where: short stacking energy: -165.428
Base-Backbone interact. energy: 0.746
local terms energy: -185.878389
where:
bonds (distance) C4'-P energy: -29.550
bonds (distance) P-C4' energy: -41.005
flat angles C4'-P-C4' energy: -39.318
flat angles P-C4'-P energy: -31.090
tors. eta vs tors. theta energy: -44.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -499.799641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.799641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.799641 (E_RNA)
where:
Base-Base interactions energy: -327.939
where: short stacking energy: -157.187
Base-Backbone interact. energy: 0.431
local terms energy: -172.292193
where:
bonds (distance) C4'-P energy: -32.062
bonds (distance) P-C4' energy: -30.368
flat angles C4'-P-C4' energy: -41.351
flat angles P-C4'-P energy: -23.360
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: 5, replica: 2
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -384.015218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.015218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.015218 (E_RNA)
where:
Base-Base interactions energy: -243.339
where: short stacking energy: -102.067
Base-Backbone interact. energy: -1.513
local terms energy: -139.162667
where:
bonds (distance) C4'-P energy: -25.269
bonds (distance) P-C4' energy: -32.606
flat angles C4'-P-C4' energy: -34.457
flat angles P-C4'-P energy: -28.045
tors. eta vs tors. theta energy: -18.785
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: 9
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -395.980385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.980385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.980385 (E_RNA)
where:
Base-Base interactions energy: -252.269
where: short stacking energy: -101.512
Base-Backbone interact. energy: -0.194
local terms energy: -143.517709
where:
bonds (distance) C4'-P energy: -37.666
bonds (distance) P-C4' energy: -31.509
flat angles C4'-P-C4' energy: -33.485
flat angles P-C4'-P energy: -22.900
tors. eta vs tors. theta energy: -17.958
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: 291
Temperature: 1.200000
Total energy: -336.051446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.051446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.051446 (E_RNA)
where:
Base-Base interactions energy: -205.881
where: short stacking energy: -105.971
Base-Backbone interact. energy: -0.574
local terms energy: -129.597020
where:
bonds (distance) C4'-P energy: -30.407
bonds (distance) P-C4' energy: -32.712
flat angles C4'-P-C4' energy: -18.992
flat angles P-C4'-P energy: -24.188
tors. eta vs tors. theta energy: -23.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -321.554365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.554365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.554365 (E_RNA)
where:
Base-Base interactions energy: -201.222
where: short stacking energy: -92.049
Base-Backbone interact. energy: -1.374
local terms energy: -118.958075
where:
bonds (distance) C4'-P energy: -24.364
bonds (distance) P-C4' energy: -32.755
flat angles C4'-P-C4' energy: -28.418
flat angles P-C4'-P energy: -14.178
tors. eta vs tors. theta energy: -19.243
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: 10
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -242.671245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.671245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.671245 (E_RNA)
where:
Base-Base interactions energy: -152.670
where: short stacking energy: -87.852
Base-Backbone interact. energy: 1.401
local terms energy: -91.402147
where:
bonds (distance) C4'-P energy: -23.222
bonds (distance) P-C4' energy: -27.053
flat angles C4'-P-C4' energy: -20.542
flat angles P-C4'-P energy: -9.218
tors. eta vs tors. theta energy: -11.367
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: 7
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -178.281357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.281357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.281357 (E_RNA)
where:
Base-Base interactions energy: -78.428
where: short stacking energy: -59.700
Base-Backbone interact. energy: -1.353
local terms energy: -98.500891
where:
bonds (distance) C4'-P energy: -30.143
bonds (distance) P-C4' energy: -28.346
flat angles C4'-P-C4' energy: -26.559
flat angles P-C4'-P energy: -18.869
tors. eta vs tors. theta energy: 5.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -580.381196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.381196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.381196 (E_RNA)
where:
Base-Base interactions energy: -398.383
where: short stacking energy: -200.197
Base-Backbone interact. energy: -0.110
local terms energy: -181.888548
where:
bonds (distance) C4'-P energy: -30.324
bonds (distance) P-C4' energy: -29.798
flat angles C4'-P-C4' energy: -39.047
flat angles P-C4'-P energy: -28.275
tors. eta vs tors. theta energy: -54.445
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: 2, replica: 6
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -539.686467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.686467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.686467 (E_RNA)
where:
Base-Base interactions energy: -359.801
where: short stacking energy: -158.520
Base-Backbone interact. energy: -0.568
local terms energy: -179.318229
where:
bonds (distance) C4'-P energy: -37.529
bonds (distance) P-C4' energy: -36.701
flat angles C4'-P-C4' energy: -38.191
flat angles P-C4'-P energy: -27.664
tors. eta vs tors. theta energy: -39.232
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: 1
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -467.564330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.564330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.564330 (E_RNA)
where:
Base-Base interactions energy: -308.788
where: short stacking energy: -141.271
Base-Backbone interact. energy: -0.521
local terms energy: -158.254445
where:
bonds (distance) C4'-P energy: -35.180
bonds (distance) P-C4' energy: -36.648
flat angles C4'-P-C4' energy: -35.095
flat angles P-C4'-P energy: -21.566
tors. eta vs tors. theta energy: -29.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -513.737743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.737743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.737743 (E_RNA)
where:
Base-Base interactions energy: -338.715
where: short stacking energy: -161.702
Base-Backbone interact. energy: -0.604
local terms energy: -174.418804
where:
bonds (distance) C4'-P energy: -34.410
bonds (distance) P-C4' energy: -32.493
flat angles C4'-P-C4' energy: -42.509
flat angles P-C4'-P energy: -20.296
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: 5, replica: 9
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -419.847453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.847453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.847453 (E_RNA)
where:
Base-Base interactions energy: -290.066
where: short stacking energy: -132.802
Base-Backbone interact. energy: -0.341
local terms energy: -129.440056
where:
bonds (distance) C4'-P energy: -33.658
bonds (distance) P-C4' energy: -20.921
flat angles C4'-P-C4' energy: -25.110
flat angles P-C4'-P energy: -17.251
tors. eta vs tors. theta energy: -32.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -369.190990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.190990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.190990 (E_RNA)
where:
Base-Base interactions energy: -237.634
where: short stacking energy: -107.823
Base-Backbone interact. energy: -0.194
local terms energy: -131.363072
where:
bonds (distance) C4'-P energy: -30.895
bonds (distance) P-C4' energy: -31.211
flat angles C4'-P-C4' energy: -23.148
flat angles P-C4'-P energy: -18.718
tors. eta vs tors. theta energy: -27.390
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: 8
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -336.076931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.076931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.076931 (E_RNA)
where:
Base-Base interactions energy: -210.872
where: short stacking energy: -98.536
Base-Backbone interact. energy: -0.223
local terms energy: -124.981921
where:
bonds (distance) C4'-P energy: -25.819
bonds (distance) P-C4' energy: -27.859
flat angles C4'-P-C4' energy: -30.064
flat angles P-C4'-P energy: -25.311
tors. eta vs tors. theta energy: -15.928
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: 3
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -333.507225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.507225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.507225 (E_RNA)
where:
Base-Base interactions energy: -208.463
where: short stacking energy: -105.429
Base-Backbone interact. energy: -0.391
local terms energy: -124.653874
where:
bonds (distance) C4'-P energy: -24.140
bonds (distance) P-C4' energy: -29.455
flat angles C4'-P-C4' energy: -25.916
flat angles P-C4'-P energy: -16.655
tors. eta vs tors. theta energy: -28.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -235.112572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.112572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.112572 (E_RNA)
where:
Base-Base interactions energy: -127.247
where: short stacking energy: -72.630
Base-Backbone interact. energy: -0.622
local terms energy: -107.243510
where:
bonds (distance) C4'-P energy: -28.444
bonds (distance) P-C4' energy: -21.178
flat angles C4'-P-C4' energy: -24.538
flat angles P-C4'-P energy: -19.974
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: 10, replica: 7
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -232.365496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.365496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.365496 (E_RNA)
where:
Base-Base interactions energy: -121.773
where: short stacking energy: -70.514
Base-Backbone interact. energy: -0.502
local terms energy: -110.090277
where:
bonds (distance) C4'-P energy: -23.589
bonds (distance) P-C4' energy: -25.062
flat angles C4'-P-C4' energy: -34.280
flat angles P-C4'-P energy: -18.753
tors. eta vs tors. theta energy: -8.406
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: 5
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -567.885830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.885830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.885830 (E_RNA)
where:
Base-Base interactions energy: -368.333
where: short stacking energy: -187.954
Base-Backbone interact. energy: -1.369
local terms energy: -198.182924
where:
bonds (distance) C4'-P energy: -32.556
bonds (distance) P-C4' energy: -40.770
flat angles C4'-P-C4' energy: -40.468
flat angles P-C4'-P energy: -26.476
tors. eta vs tors. theta energy: -57.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -541.532781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.532781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.532781 (E_RNA)
where:
Base-Base interactions energy: -370.664
where: short stacking energy: -165.071
Base-Backbone interact. energy: -0.513
local terms energy: -170.355787
where:
bonds (distance) C4'-P energy: -30.389
bonds (distance) P-C4' energy: -34.005
flat angles C4'-P-C4' energy: -36.602
flat angles P-C4'-P energy: -29.290
tors. eta vs tors. theta energy: -40.069
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: 1
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -474.859163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.859163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.859163 (E_RNA)
where:
Base-Base interactions energy: -315.858
where: short stacking energy: -145.562
Base-Backbone interact. energy: -1.044
local terms energy: -157.957986
where:
bonds (distance) C4'-P energy: -26.485
bonds (distance) P-C4' energy: -35.747
flat angles C4'-P-C4' energy: -34.135
flat angles P-C4'-P energy: -21.284
tors. eta vs tors. theta energy: -40.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -515.116095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.116095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.116095 (E_RNA)
where:
Base-Base interactions energy: -345.763
where: short stacking energy: -166.943
Base-Backbone interact. energy: -0.565
local terms energy: -168.787570
where:
bonds (distance) C4'-P energy: -30.685
bonds (distance) P-C4' energy: -32.856
flat angles C4'-P-C4' energy: -32.902
flat angles P-C4'-P energy: -26.392
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: 5, replica: 9
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -438.059333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.059333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.059333 (E_RNA)
where:
Base-Base interactions energy: -287.351
where: short stacking energy: -127.181
Base-Backbone interact. energy: -1.192
local terms energy: -149.516607
where:
bonds (distance) C4'-P energy: -30.282
bonds (distance) P-C4' energy: -33.859
flat angles C4'-P-C4' energy: -33.514
flat angles P-C4'-P energy: -19.034
tors. eta vs tors. theta energy: -32.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -365.601996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.601996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.601996 (E_RNA)
where:
Base-Base interactions energy: -230.449
where: short stacking energy: -104.766
Base-Backbone interact. energy: 0.463
local terms energy: -135.615399
where:
bonds (distance) C4'-P energy: -29.191
bonds (distance) P-C4' energy: -35.145
flat angles C4'-P-C4' energy: -30.760
flat angles P-C4'-P energy: -23.427
tors. eta vs tors. theta energy: -17.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -323.610139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.610139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.610139 (E_RNA)
where:
Base-Base interactions energy: -197.633
where: short stacking energy: -91.710
Base-Backbone interact. energy: -0.122
local terms energy: -125.855306
where:
bonds (distance) C4'-P energy: -28.324
bonds (distance) P-C4' energy: -34.043
flat angles C4'-P-C4' energy: -29.548
flat angles P-C4'-P energy: -19.676
tors. eta vs tors. theta energy: -14.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -254.031026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.031026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.031026 (E_RNA)
where:
Base-Base interactions energy: -132.951
where: short stacking energy: -86.205
Base-Backbone interact. energy: -0.414
local terms energy: -120.666195
where:
bonds (distance) C4'-P energy: -30.198
bonds (distance) P-C4' energy: -28.321
flat angles C4'-P-C4' energy: -25.235
flat angles P-C4'-P energy: -16.402
tors. eta vs tors. theta energy: -20.511
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: 3
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -273.527540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.527540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.527540 (E_RNA)
where:
Base-Base interactions energy: -176.561
where: short stacking energy: -78.061
Base-Backbone interact. energy: 1.566
local terms energy: -98.533122
where:
bonds (distance) C4'-P energy: -20.894
bonds (distance) P-C4' energy: -29.764
flat angles C4'-P-C4' energy: -27.936
flat angles P-C4'-P energy: -19.823
tors. eta vs tors. theta energy: -0.117
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: 7
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -218.050728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.050728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.050728 (E_RNA)
where:
Base-Base interactions energy: -118.705
where: short stacking energy: -68.602
Base-Backbone interact. energy: 1.037
local terms energy: -100.382548
where:
bonds (distance) C4'-P energy: -24.912
bonds (distance) P-C4' energy: -30.909
flat angles C4'-P-C4' energy: -20.144
flat angles P-C4'-P energy: -18.076
tors. eta vs tors. theta energy: -6.342
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: 1, replica: 5
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -576.816363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.816363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.816363 (E_RNA)
where:
Base-Base interactions energy: -382.428
where: short stacking energy: -187.730
Base-Backbone interact. energy: -0.929
local terms energy: -193.459241
where:
bonds (distance) C4'-P energy: -35.789
bonds (distance) P-C4' energy: -39.727
flat angles C4'-P-C4' energy: -39.882
flat angles P-C4'-P energy: -22.012
tors. eta vs tors. theta energy: -56.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -517.519905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.519905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.519905 (E_RNA)
where:
Base-Base interactions energy: -369.316
where: short stacking energy: -164.863
Base-Backbone interact. energy: -0.870
local terms energy: -147.333041
where:
bonds (distance) C4'-P energy: -30.208
bonds (distance) P-C4' energy: -34.363
flat angles C4'-P-C4' energy: -27.864
flat angles P-C4'-P energy: -18.385
tors. eta vs tors. theta energy: -36.513
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: 4
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -510.937627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.937627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.937627 (E_RNA)
where:
Base-Base interactions energy: -333.587
where: short stacking energy: -152.419
Base-Backbone interact. energy: -0.017
local terms energy: -177.333238
where:
bonds (distance) C4'-P energy: -32.515
bonds (distance) P-C4' energy: -37.675
flat angles C4'-P-C4' energy: -41.124
flat angles P-C4'-P energy: -27.826
tors. eta vs tors. theta energy: -38.193
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: 1
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -440.874902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.874902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.874902 (E_RNA)
where:
Base-Base interactions energy: -282.241
where: short stacking energy: -121.985
Base-Backbone interact. energy: -1.152
local terms energy: -157.482020
where:
bonds (distance) C4'-P energy: -39.452
bonds (distance) P-C4' energy: -30.400
flat angles C4'-P-C4' energy: -40.334
flat angles P-C4'-P energy: -22.704
tors. eta vs tors. theta energy: -24.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -438.871100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.871100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.871100 (E_RNA)
where:
Base-Base interactions energy: -287.214
where: short stacking energy: -125.078
Base-Backbone interact. energy: -1.931
local terms energy: -149.726050
where:
bonds (distance) C4'-P energy: -33.463
bonds (distance) P-C4' energy: -34.804
flat angles C4'-P-C4' energy: -40.601
flat angles P-C4'-P energy: -13.811
tors. eta vs tors. theta energy: -27.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -355.289943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.289943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.289943 (E_RNA)
where:
Base-Base interactions energy: -217.076
where: short stacking energy: -108.599
Base-Backbone interact. energy: 2.515
local terms energy: -140.729510
where:
bonds (distance) C4'-P energy: -31.586
bonds (distance) P-C4' energy: -33.525
flat angles C4'-P-C4' energy: -36.599
flat angles P-C4'-P energy: -18.568
tors. eta vs tors. theta energy: -20.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -276.572189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.572189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.572189 (E_RNA)
where:
Base-Base interactions energy: -156.522
where: short stacking energy: -88.520
Base-Backbone interact. energy: -0.975
local terms energy: -119.075364
where:
bonds (distance) C4'-P energy: -29.539
bonds (distance) P-C4' energy: -34.793
flat angles C4'-P-C4' energy: -29.865
flat angles P-C4'-P energy: -10.745
tors. eta vs tors. theta energy: -14.134
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: 8
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -294.268308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.268308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.268308 (E_RNA)
where:
Base-Base interactions energy: -176.632
where: short stacking energy: -96.778
Base-Backbone interact. energy: -0.525
local terms energy: -117.110874
where:
bonds (distance) C4'-P energy: -28.707
bonds (distance) P-C4' energy: -37.121
flat angles C4'-P-C4' energy: -13.464
flat angles P-C4'-P energy: -21.047
tors. eta vs tors. theta energy: -16.772
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: 3
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -310.111016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.111016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.111016 (E_RNA)
where:
Base-Base interactions energy: -181.602
where: short stacking energy: -88.902
Base-Backbone interact. energy: -0.381
local terms energy: -128.127883
where:
bonds (distance) C4'-P energy: -35.712
bonds (distance) P-C4' energy: -28.520
flat angles C4'-P-C4' energy: -24.661
flat angles P-C4'-P energy: -21.781
tors. eta vs tors. theta energy: -17.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -221.485531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.485531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.485531 (E_RNA)
where:
Base-Base interactions energy: -117.703
where: short stacking energy: -65.657
Base-Backbone interact. energy: 0.212
local terms energy: -103.994436
where:
bonds (distance) C4'-P energy: -29.768
bonds (distance) P-C4' energy: -22.853
flat angles C4'-P-C4' energy: -26.253
flat angles P-C4'-P energy: -15.167
tors. eta vs tors. theta energy: -9.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -573.991980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.991980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.991980 (E_RNA)
where:
Base-Base interactions energy: -388.536
where: short stacking energy: -188.353
Base-Backbone interact. energy: -0.011
local terms energy: -185.445210
where:
bonds (distance) C4'-P energy: -30.683
bonds (distance) P-C4' energy: -31.652
flat angles C4'-P-C4' energy: -38.992
flat angles P-C4'-P energy: -26.955
tors. eta vs tors. theta energy: -57.163
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: 2, replica: 6
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -524.799862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.799862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.799862 (E_RNA)
where:
Base-Base interactions energy: -359.307
where: short stacking energy: -145.904
Base-Backbone interact. energy: -0.988
local terms energy: -164.504895
where:
bonds (distance) C4'-P energy: -30.569
bonds (distance) P-C4' energy: -34.532
flat angles C4'-P-C4' energy: -41.246
flat angles P-C4'-P energy: -19.911
tors. eta vs tors. theta energy: -38.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -525.011457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.011457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.011457 (E_RNA)
where:
Base-Base interactions energy: -345.745
where: short stacking energy: -164.921
Base-Backbone interact. energy: -0.414
local terms energy: -178.852397
where:
bonds (distance) C4'-P energy: -32.113
bonds (distance) P-C4' energy: -36.906
flat angles C4'-P-C4' energy: -36.651
flat angles P-C4'-P energy: -31.605
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: 4, replica: 1
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -441.039550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.039550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.039550 (E_RNA)
where:
Base-Base interactions energy: -284.941
where: short stacking energy: -150.931
Base-Backbone interact. energy: -1.218
local terms energy: -154.881109
where:
bonds (distance) C4'-P energy: -26.551
bonds (distance) P-C4' energy: -39.603
flat angles C4'-P-C4' energy: -30.429
flat angles P-C4'-P energy: -22.524
tors. eta vs tors. theta energy: -35.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -421.653215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.653215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.653215 (E_RNA)
where:
Base-Base interactions energy: -274.557
where: short stacking energy: -111.097
Base-Backbone interact. energy: -0.995
local terms energy: -146.101879
where:
bonds (distance) C4'-P energy: -32.714
bonds (distance) P-C4' energy: -36.434
flat angles C4'-P-C4' energy: -33.743
flat angles P-C4'-P energy: -20.896
tors. eta vs tors. theta energy: -22.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -360.113476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.113476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.113476 (E_RNA)
where:
Base-Base interactions energy: -224.183
where: short stacking energy: -117.571
Base-Backbone interact. energy: 0.523
local terms energy: -136.453770
where:
bonds (distance) C4'-P energy: -31.199
bonds (distance) P-C4' energy: -35.453
flat angles C4'-P-C4' energy: -26.460
flat angles P-C4'-P energy: -24.055
tors. eta vs tors. theta energy: -19.287
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: 10
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -288.918615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.918615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.918615 (E_RNA)
where:
Base-Base interactions energy: -161.870
where: short stacking energy: -102.127
Base-Backbone interact. energy: 0.621
local terms energy: -127.669773
where:
bonds (distance) C4'-P energy: -29.919
bonds (distance) P-C4' energy: -32.511
flat angles C4'-P-C4' energy: -21.888
flat angles P-C4'-P energy: -23.860
tors. eta vs tors. theta energy: -19.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -309.188948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.188948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.188948 (E_RNA)
where:
Base-Base interactions energy: -179.715
where: short stacking energy: -94.167
Base-Backbone interact. energy: -0.758
local terms energy: -128.715969
where:
bonds (distance) C4'-P energy: -23.410
bonds (distance) P-C4' energy: -27.967
flat angles C4'-P-C4' energy: -40.648
flat angles P-C4'-P energy: -22.121
tors. eta vs tors. theta energy: -14.570
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: 3
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -307.987197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.987197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.987197 (E_RNA)
where:
Base-Base interactions energy: -180.879
where: short stacking energy: -94.211
Base-Backbone interact. energy: -1.148
local terms energy: -125.960040
where:
bonds (distance) C4'-P energy: -27.432
bonds (distance) P-C4' energy: -37.286
flat angles C4'-P-C4' energy: -26.641
flat angles P-C4'-P energy: -8.766
tors. eta vs tors. theta energy: -25.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -216.149012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.149012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.149012 (E_RNA)
where:
Base-Base interactions energy: -114.311
where: short stacking energy: -64.252
Base-Backbone interact. energy: -0.349
local terms energy: -101.489014
where:
bonds (distance) C4'-P energy: -17.475
bonds (distance) P-C4' energy: -32.337
flat angles C4'-P-C4' energy: -28.131
flat angles P-C4'-P energy: -17.745
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: 6
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -554.253858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.253858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.253858 (E_RNA)
where:
Base-Base interactions energy: -371.146
where: short stacking energy: -172.711
Base-Backbone interact. energy: -0.314
local terms energy: -182.794211
where:
bonds (distance) C4'-P energy: -32.977
bonds (distance) P-C4' energy: -36.131
flat angles C4'-P-C4' energy: -39.315
flat angles P-C4'-P energy: -28.401
tors. eta vs tors. theta energy: -45.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -565.187081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.187081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.187081 (E_RNA)
where:
Base-Base interactions energy: -372.343
where: short stacking energy: -192.578
Base-Backbone interact. energy: 0.782
local terms energy: -193.625651
where:
bonds (distance) C4'-P energy: -34.496
bonds (distance) P-C4' energy: -37.274
flat angles C4'-P-C4' energy: -38.123
flat angles P-C4'-P energy: -29.668
tors. eta vs tors. theta energy: -54.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -520.649922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.649922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.649922 (E_RNA)
where:
Base-Base interactions energy: -347.421
where: short stacking energy: -163.263
Base-Backbone interact. energy: 0.252
local terms energy: -173.480302
where:
bonds (distance) C4'-P energy: -36.048
bonds (distance) P-C4' energy: -35.789
flat angles C4'-P-C4' energy: -33.719
flat angles P-C4'-P energy: -28.379
tors. eta vs tors. theta energy: -39.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -448.444750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.444750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.444750 (E_RNA)
where:
Base-Base interactions energy: -298.445
where: short stacking energy: -143.526
Base-Backbone interact. energy: 5.045
local terms energy: -155.044977
where:
bonds (distance) C4'-P energy: -28.342
bonds (distance) P-C4' energy: -33.597
flat angles C4'-P-C4' energy: -37.773
flat angles P-C4'-P energy: -20.864
tors. eta vs tors. theta energy: -34.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -418.133514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.133514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.133514 (E_RNA)
where:
Base-Base interactions energy: -276.934
where: short stacking energy: -129.567
Base-Backbone interact. energy: -1.292
local terms energy: -139.908302
where:
bonds (distance) C4'-P energy: -20.617
bonds (distance) P-C4' energy: -31.995
flat angles C4'-P-C4' energy: -31.649
flat angles P-C4'-P energy: -26.461
tors. eta vs tors. theta energy: -29.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -362.916318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.916318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.916318 (E_RNA)
where:
Base-Base interactions energy: -227.252
where: short stacking energy: -122.289
Base-Backbone interact. energy: 0.868
local terms energy: -136.532887
where:
bonds (distance) C4'-P energy: -35.711
bonds (distance) P-C4' energy: -29.210
flat angles C4'-P-C4' energy: -30.896
flat angles P-C4'-P energy: -20.336
tors. eta vs tors. theta energy: -20.381
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: 8
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -331.800822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.800822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.800822 (E_RNA)
where:
Base-Base interactions energy: -202.110
where: short stacking energy: -105.750
Base-Backbone interact. energy: -0.825
local terms energy: -128.866135
where:
bonds (distance) C4'-P energy: -27.554
bonds (distance) P-C4' energy: -26.379
flat angles C4'-P-C4' energy: -28.858
flat angles P-C4'-P energy: -24.110
tors. eta vs tors. theta energy: -21.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -247.862451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.862451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.862451 (E_RNA)
where:
Base-Base interactions energy: -124.356
where: short stacking energy: -78.670
Base-Backbone interact. energy: 1.517
local terms energy: -125.023632
where:
bonds (distance) C4'-P energy: -32.266
bonds (distance) P-C4' energy: -34.500
flat angles C4'-P-C4' energy: -24.016
flat angles P-C4'-P energy: -23.001
tors. eta vs tors. theta energy: -11.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -298.690034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.690034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.690034 (E_RNA)
where:
Base-Base interactions energy: -181.742
where: short stacking energy: -77.638
Base-Backbone interact. energy: -0.523
local terms energy: -116.425696
where:
bonds (distance) C4'-P energy: -27.251
bonds (distance) P-C4' energy: -33.252
flat angles C4'-P-C4' energy: -29.092
flat angles P-C4'-P energy: -19.371
tors. eta vs tors. theta energy: -7.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -207.225049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.225049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.225049 (E_RNA)
where:
Base-Base interactions energy: -110.255
where: short stacking energy: -63.287
Base-Backbone interact. energy: 1.169
local terms energy: -98.138673
where:
bonds (distance) C4'-P energy: -30.000
bonds (distance) P-C4' energy: -31.169
flat angles C4'-P-C4' energy: -23.558
flat angles P-C4'-P energy: -9.245
tors. eta vs tors. theta energy: -4.166
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: 6
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -552.356320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.356320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.356320 (E_RNA)
where:
Base-Base interactions energy: -379.367
where: short stacking energy: -175.298
Base-Backbone interact. energy: -0.313
local terms energy: -172.676993
where:
bonds (distance) C4'-P energy: -34.585
bonds (distance) P-C4' energy: -35.828
flat angles C4'-P-C4' energy: -36.940
flat angles P-C4'-P energy: -22.790
tors. eta vs tors. theta energy: -42.535
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: 5
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -558.957001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.957001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.957001 (E_RNA)
where:
Base-Base interactions energy: -358.225
where: short stacking energy: -197.786
Base-Backbone interact. energy: -0.541
local terms energy: -200.191432
where:
bonds (distance) C4'-P energy: -35.451
bonds (distance) P-C4' energy: -35.406
flat angles C4'-P-C4' energy: -40.299
flat angles P-C4'-P energy: -28.444
tors. eta vs tors. theta energy: -60.592
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: 4
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -511.671160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.671160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.671160 (E_RNA)
where:
Base-Base interactions energy: -345.184
where: short stacking energy: -152.348
Base-Backbone interact. energy: -1.262
local terms energy: -165.224564
where:
bonds (distance) C4'-P energy: -33.205
bonds (distance) P-C4' energy: -33.127
flat angles C4'-P-C4' energy: -37.431
flat angles P-C4'-P energy: -28.076
tors. eta vs tors. theta energy: -33.386
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: 9
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -404.549127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.549127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.549127 (E_RNA)
where:
Base-Base interactions energy: -262.973
where: short stacking energy: -144.095
Base-Backbone interact. energy: 1.120
local terms energy: -142.696734
where:
bonds (distance) C4'-P energy: -32.515
bonds (distance) P-C4' energy: -28.404
flat angles C4'-P-C4' energy: -36.972
flat angles P-C4'-P energy: -14.283
tors. eta vs tors. theta energy: -30.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -428.729861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.729861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.729861 (E_RNA)
where:
Base-Base interactions energy: -269.507
where: short stacking energy: -128.311
Base-Backbone interact. energy: -0.841
local terms energy: -158.381455
where:
bonds (distance) C4'-P energy: -33.961
bonds (distance) P-C4' energy: -31.335
flat angles C4'-P-C4' energy: -34.566
flat angles P-C4'-P energy: -27.979
tors. eta vs tors. theta energy: -30.540
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: 2
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -365.295710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.295710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.295710 (E_RNA)
where:
Base-Base interactions energy: -219.090
where: short stacking energy: -107.882
Base-Backbone interact. energy: -0.219
local terms energy: -145.986399
where:
bonds (distance) C4'-P energy: -38.555
bonds (distance) P-C4' energy: -26.237
flat angles C4'-P-C4' energy: -38.306
flat angles P-C4'-P energy: -13.434
tors. eta vs tors. theta energy: -29.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -377.124330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.124330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.124330 (E_RNA)
where:
Base-Base interactions energy: -222.213
where: short stacking energy: -123.094
Base-Backbone interact. energy: -0.074
local terms energy: -154.837484
where:
bonds (distance) C4'-P energy: -32.388
bonds (distance) P-C4' energy: -30.319
flat angles C4'-P-C4' energy: -36.045
flat angles P-C4'-P energy: -22.149
tors. eta vs tors. theta energy: -33.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -329.424413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.424413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.424413 (E_RNA)
where:
Base-Base interactions energy: -197.509
where: short stacking energy: -95.659
Base-Backbone interact. energy: -1.867
local terms energy: -130.048873
where:
bonds (distance) C4'-P energy: -29.338
bonds (distance) P-C4' energy: -30.400
flat angles C4'-P-C4' energy: -26.374
flat angles P-C4'-P energy: -21.281
tors. eta vs tors. theta energy: -22.656
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: 297
Temperature: 1.300000
Total energy: -241.911580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.911580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.911580 (E_RNA)
where:
Base-Base interactions energy: -128.001
where: short stacking energy: -81.410
Base-Backbone interact. energy: -0.263
local terms energy: -113.647697
where:
bonds (distance) C4'-P energy: -20.981
bonds (distance) P-C4' energy: -28.928
flat angles C4'-P-C4' energy: -23.823
flat angles P-C4'-P energy: -19.303
tors. eta vs tors. theta energy: -20.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -229.047646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.047646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.047646 (E_RNA)
where:
Base-Base interactions energy: -101.968
where: short stacking energy: -66.421
Base-Backbone interact. energy: 0.021
local terms energy: -127.100214
where:
bonds (distance) C4'-P energy: -35.366
bonds (distance) P-C4' energy: -26.619
flat angles C4'-P-C4' energy: -29.264
flat angles P-C4'-P energy: -17.716
tors. eta vs tors. theta energy: -18.134
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: 5
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -558.219829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.219829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.219829 (E_RNA)
where:
Base-Base interactions energy: -375.635
where: short stacking energy: -191.372
Base-Backbone interact. energy: -0.052
local terms energy: -182.532364
where:
bonds (distance) C4'-P energy: -33.149
bonds (distance) P-C4' energy: -33.278
flat angles C4'-P-C4' energy: -36.755
flat angles P-C4'-P energy: -25.480
tors. eta vs tors. theta energy: -53.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -539.116476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.116476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.116476 (E_RNA)
where:
Base-Base interactions energy: -369.455
where: short stacking energy: -168.825
Base-Backbone interact. energy: -2.820
local terms energy: -166.841553
where:
bonds (distance) C4'-P energy: -29.084
bonds (distance) P-C4' energy: -33.044
flat angles C4'-P-C4' energy: -35.985
flat angles P-C4'-P energy: -30.552
tors. eta vs tors. theta energy: -38.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -522.029160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.029160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.029160 (E_RNA)
where:
Base-Base interactions energy: -346.224
where: short stacking energy: -144.462
Base-Backbone interact. energy: -1.430
local terms energy: -174.375192
where:
bonds (distance) C4'-P energy: -31.439
bonds (distance) P-C4' energy: -32.793
flat angles C4'-P-C4' energy: -36.459
flat angles P-C4'-P energy: -28.794
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: 298
Temperature: 1.050000
Total energy: -410.061482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.061482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.061482 (E_RNA)
where:
Base-Base interactions energy: -247.795
where: short stacking energy: -132.568
Base-Backbone interact. energy: -1.174
local terms energy: -161.092565
where:
bonds (distance) C4'-P energy: -34.047
bonds (distance) P-C4' energy: -37.652
flat angles C4'-P-C4' energy: -40.066
flat angles P-C4'-P energy: -17.704
tors. eta vs tors. theta energy: -31.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -423.178908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.178908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.178908 (E_RNA)
where:
Base-Base interactions energy: -275.258
where: short stacking energy: -133.645
Base-Backbone interact. energy: -0.536
local terms energy: -147.384729
where:
bonds (distance) C4'-P energy: -31.959
bonds (distance) P-C4' energy: -28.204
flat angles C4'-P-C4' energy: -35.723
flat angles P-C4'-P energy: -20.679
tors. eta vs tors. theta energy: -30.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -396.466196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.466196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.466196 (E_RNA)
where:
Base-Base interactions energy: -254.496
where: short stacking energy: -136.809
Base-Backbone interact. energy: 0.358
local terms energy: -142.327515
where:
bonds (distance) C4'-P energy: -28.660
bonds (distance) P-C4' energy: -30.938
flat angles C4'-P-C4' energy: -31.718
flat angles P-C4'-P energy: -19.271
tors. eta vs tors. theta energy: -31.741
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: 3
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -336.554457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.554457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.554457 (E_RNA)
where:
Base-Base interactions energy: -195.479
where: short stacking energy: -109.207
Base-Backbone interact. energy: -0.100
local terms energy: -140.975431
where:
bonds (distance) C4'-P energy: -29.731
bonds (distance) P-C4' energy: -30.376
flat angles C4'-P-C4' energy: -36.593
flat angles P-C4'-P energy: -23.351
tors. eta vs tors. theta energy: -20.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -337.924376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.924376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.924376 (E_RNA)
where:
Base-Base interactions energy: -217.147
where: short stacking energy: -106.690
Base-Backbone interact. energy: -1.220
local terms energy: -119.557169
where:
bonds (distance) C4'-P energy: -20.760
bonds (distance) P-C4' energy: -30.929
flat angles C4'-P-C4' energy: -26.345
flat angles P-C4'-P energy: -21.238
tors. eta vs tors. theta energy: -20.285
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: 9, replica: 7
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -248.267310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.267310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.267310 (E_RNA)
where:
Base-Base interactions energy: -141.841
where: short stacking energy: -76.674
Base-Backbone interact. energy: 1.043
local terms energy: -107.468391
where:
bonds (distance) C4'-P energy: -27.510
bonds (distance) P-C4' energy: -30.658
flat angles C4'-P-C4' energy: -21.651
flat angles P-C4'-P energy: -14.667
tors. eta vs tors. theta energy: -12.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -231.009735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.009735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.009735 (E_RNA)
where:
Base-Base interactions energy: -122.163
where: short stacking energy: -64.515
Base-Backbone interact. energy: -0.411
local terms energy: -108.435256
where:
bonds (distance) C4'-P energy: -23.212
bonds (distance) P-C4' energy: -29.852
flat angles C4'-P-C4' energy: -32.493
flat angles P-C4'-P energy: -15.302
tors. eta vs tors. theta energy: -7.576
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: 5
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -569.353646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.353646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.353646 (E_RNA)
where:
Base-Base interactions energy: -370.495
where: short stacking energy: -190.561
Base-Backbone interact. energy: -0.223
local terms energy: -198.635379
where:
bonds (distance) C4'-P energy: -31.187
bonds (distance) P-C4' energy: -37.543
flat angles C4'-P-C4' energy: -36.165
flat angles P-C4'-P energy: -33.760
tors. eta vs tors. theta energy: -59.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -549.118407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.118407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.118407 (E_RNA)
where:
Base-Base interactions energy: -375.242
where: short stacking energy: -173.878
Base-Backbone interact. energy: -1.359
local terms energy: -172.517217
where:
bonds (distance) C4'-P energy: -33.534
bonds (distance) P-C4' energy: -32.960
flat angles C4'-P-C4' energy: -36.746
flat angles P-C4'-P energy: -20.307
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: 3, replica: 6
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -527.564330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.564330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.564330 (E_RNA)
where:
Base-Base interactions energy: -357.746
where: short stacking energy: -150.345
Base-Backbone interact. energy: 1.407
local terms energy: -171.224837
where:
bonds (distance) C4'-P energy: -33.427
bonds (distance) P-C4' energy: -31.104
flat angles C4'-P-C4' energy: -41.727
flat angles P-C4'-P energy: -27.801
tors. eta vs tors. theta energy: -37.167
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: -465.233270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.233270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.233270 (E_RNA)
where:
Base-Base interactions energy: -306.515
where: short stacking energy: -147.685
Base-Backbone interact. energy: -0.637
local terms energy: -158.081682
where:
bonds (distance) C4'-P energy: -31.294
bonds (distance) P-C4' energy: -28.437
flat angles C4'-P-C4' energy: -32.720
flat angles P-C4'-P energy: -25.002
tors. eta vs tors. theta energy: -40.628
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: 9
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -387.934854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.934854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.934854 (E_RNA)
where:
Base-Base interactions energy: -244.660
where: short stacking energy: -129.325
Base-Backbone interact. energy: -1.410
local terms energy: -141.865214
where:
bonds (distance) C4'-P energy: -27.487
bonds (distance) P-C4' energy: -28.877
flat angles C4'-P-C4' energy: -27.676
flat angles P-C4'-P energy: -32.087
tors. eta vs tors. theta energy: -25.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -352.551875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.551875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.551875 (E_RNA)
where:
Base-Base interactions energy: -229.188
where: short stacking energy: -123.349
Base-Backbone interact. energy: -0.132
local terms energy: -123.231674
where:
bonds (distance) C4'-P energy: -30.159
bonds (distance) P-C4' energy: -22.495
flat angles C4'-P-C4' energy: -25.316
flat angles P-C4'-P energy: -23.096
tors. eta vs tors. theta energy: -22.166
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: 2
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -356.056754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.056754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.056754 (E_RNA)
where:
Base-Base interactions energy: -225.053
where: short stacking energy: -119.315
Base-Backbone interact. energy: -0.311
local terms energy: -130.692901
where:
bonds (distance) C4'-P energy: -33.961
bonds (distance) P-C4' energy: -27.701
flat angles C4'-P-C4' energy: -27.334
flat angles P-C4'-P energy: -18.703
tors. eta vs tors. theta energy: -22.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -243.711814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.711814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.711814 (E_RNA)
where:
Base-Base interactions energy: -138.054
where: short stacking energy: -62.111
Base-Backbone interact. energy: 0.391
local terms energy: -106.049283
where:
bonds (distance) C4'-P energy: -28.411
bonds (distance) P-C4' energy: -32.057
flat angles C4'-P-C4' energy: -23.935
flat angles P-C4'-P energy: -17.147
tors. eta vs tors. theta energy: -4.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -325.437834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.437834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.437834 (E_RNA)
where:
Base-Base interactions energy: -193.957
where: short stacking energy: -89.210
Base-Backbone interact. energy: -0.463
local terms energy: -131.018586
where:
bonds (distance) C4'-P energy: -33.366
bonds (distance) P-C4' energy: -33.478
flat angles C4'-P-C4' energy: -30.333
flat angles P-C4'-P energy: -17.377
tors. eta vs tors. theta energy: -16.464
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: 10
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -251.013610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.013610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.013610 (E_RNA)
where:
Base-Base interactions energy: -153.233
where: short stacking energy: -78.843
Base-Backbone interact. energy: -0.898
local terms energy: -96.883313
where:
bonds (distance) C4'-P energy: -26.467
bonds (distance) P-C4' energy: -26.451
flat angles C4'-P-C4' energy: -21.884
flat angles P-C4'-P energy: -14.180
tors. eta vs tors. theta energy: -7.900
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: 5
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -573.520176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.520176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.520176 (E_RNA)
where:
Base-Base interactions energy: -375.653
where: short stacking energy: -194.260
Base-Backbone interact. energy: -0.145
local terms energy: -197.722165
where:
bonds (distance) C4'-P energy: -35.417
bonds (distance) P-C4' energy: -36.538
flat angles C4'-P-C4' energy: -43.756
flat angles P-C4'-P energy: -29.211
tors. eta vs tors. theta energy: -52.800
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: 4
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -540.811001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.811001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.811001 (E_RNA)
where:
Base-Base interactions energy: -365.133
where: short stacking energy: -166.520
Base-Backbone interact. energy: -0.615
local terms energy: -175.063086
where:
bonds (distance) C4'-P energy: -33.644
bonds (distance) P-C4' energy: -34.327
flat angles C4'-P-C4' energy: -34.304
flat angles P-C4'-P energy: -26.302
tors. eta vs tors. theta energy: -46.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -510.716584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.716584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.716584 (E_RNA)
where:
Base-Base interactions energy: -350.453
where: short stacking energy: -149.408
Base-Backbone interact. energy: -0.763
local terms energy: -159.500344
where:
bonds (distance) C4'-P energy: -31.784
bonds (distance) P-C4' energy: -37.714
flat angles C4'-P-C4' energy: -28.358
flat angles P-C4'-P energy: -24.786
tors. eta vs tors. theta energy: -36.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -468.772542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.772542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.772542 (E_RNA)
where:
Base-Base interactions energy: -299.399
where: short stacking energy: -154.640
Base-Backbone interact. energy: 0.286
local terms energy: -169.659411
where:
bonds (distance) C4'-P energy: -37.541
bonds (distance) P-C4' energy: -35.849
flat angles C4'-P-C4' energy: -38.935
flat angles P-C4'-P energy: -21.958
tors. eta vs tors. theta energy: -35.377
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: 300
Temperature: 1.100000
Total energy: -403.117293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.117293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.117293 (E_RNA)
where:
Base-Base interactions energy: -263.867
where: short stacking energy: -116.980
Base-Backbone interact. energy: 0.424
local terms energy: -139.674205
where:
bonds (distance) C4'-P energy: -27.287
bonds (distance) P-C4' energy: -31.378
flat angles C4'-P-C4' energy: -34.949
flat angles P-C4'-P energy: -19.923
tors. eta vs tors. theta energy: -26.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -354.876110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.876110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.876110 (E_RNA)
where:
Base-Base interactions energy: -224.777
where: short stacking energy: -113.629
Base-Backbone interact. energy: -0.342
local terms energy: -129.756660
where:
bonds (distance) C4'-P energy: -33.503
bonds (distance) P-C4' energy: -30.559
flat angles C4'-P-C4' energy: -28.089
flat angles P-C4'-P energy: -16.993
tors. eta vs tors. theta energy: -20.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -340.707874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.707874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.707874 (E_RNA)
where:
Base-Base interactions energy: -197.640
where: short stacking energy: -95.635
Base-Backbone interact. energy: -1.243
local terms energy: -141.825292
where:
bonds (distance) C4'-P energy: -29.852
bonds (distance) P-C4' energy: -35.099
flat angles C4'-P-C4' energy: -31.017
flat angles P-C4'-P energy: -22.508
tors. eta vs tors. theta energy: -23.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -273.467211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.467211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.467211 (E_RNA)
where:
Base-Base interactions energy: -153.700
where: short stacking energy: -91.551
Base-Backbone interact. energy: 0.520
local terms energy: -120.286648
where:
bonds (distance) C4'-P energy: -27.712
bonds (distance) P-C4' energy: -30.192
flat angles C4'-P-C4' energy: -25.626
flat angles P-C4'-P energy: -17.780
tors. eta vs tors. theta energy: -18.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -332.749547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.749547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.749547 (E_RNA)
where:
Base-Base interactions energy: -196.382
where: short stacking energy: -82.530
Base-Backbone interact. energy: -0.689
local terms energy: -135.678270
where:
bonds (distance) C4'-P energy: -34.158
bonds (distance) P-C4' energy: -34.439
flat angles C4'-P-C4' energy: -27.815
flat angles P-C4'-P energy: -22.086
tors. eta vs tors. theta energy: -17.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -220.457602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.457602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.457602 (E_RNA)
where:
Base-Base interactions energy: -131.152
where: short stacking energy: -60.870
Base-Backbone interact. energy: 4.649
local terms energy: -93.954368
where:
bonds (distance) C4'-P energy: -25.371
bonds (distance) P-C4' energy: -20.590
flat angles C4'-P-C4' energy: -28.788
flat angles P-C4'-P energy: -19.590
tors. eta vs tors. theta energy: 0.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -578.455759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.455759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.455759 (E_RNA)
where:
Base-Base interactions energy: -378.022
where: short stacking energy: -192.266
Base-Backbone interact. energy: -0.055
local terms energy: -200.378544
where:
bonds (distance) C4'-P energy: -38.507
bonds (distance) P-C4' energy: -33.853
flat angles C4'-P-C4' energy: -42.491
flat angles P-C4'-P energy: -27.411
tors. eta vs tors. theta energy: -58.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -545.034073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.034073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.034073 (E_RNA)
where:
Base-Base interactions energy: -363.457
where: short stacking energy: -172.344
Base-Backbone interact. energy: -0.744
local terms energy: -180.832799
where:
bonds (distance) C4'-P energy: -34.804
bonds (distance) P-C4' energy: -33.044
flat angles C4'-P-C4' energy: -38.139
flat angles P-C4'-P energy: -29.419
tors. eta vs tors. theta energy: -45.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -513.528756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.528756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.528756 (E_RNA)
where:
Base-Base interactions energy: -342.147
where: short stacking energy: -167.315
Base-Backbone interact. energy: -1.126
local terms energy: -170.255755
where:
bonds (distance) C4'-P energy: -27.505
bonds (distance) P-C4' energy: -37.143
flat angles C4'-P-C4' energy: -36.444
flat angles P-C4'-P energy: -29.576
tors. eta vs tors. theta energy: -39.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -434.498738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.498738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.498738 (E_RNA)
where:
Base-Base interactions energy: -279.551
where: short stacking energy: -138.292
Base-Backbone interact. energy: -0.157
local terms energy: -154.790437
where:
bonds (distance) C4'-P energy: -30.355
bonds (distance) P-C4' energy: -34.159
flat angles C4'-P-C4' energy: -31.353
flat angles P-C4'-P energy: -22.417
tors. eta vs tors. theta energy: -36.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -429.259737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.259737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.259737 (E_RNA)
where:
Base-Base interactions energy: -277.074
where: short stacking energy: -129.020
Base-Backbone interact. energy: 0.048
local terms energy: -152.234006
where:
bonds (distance) C4'-P energy: -31.081
bonds (distance) P-C4' energy: -30.062
flat angles C4'-P-C4' energy: -27.366
flat angles P-C4'-P energy: -24.359
tors. eta vs tors. theta energy: -39.365
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: 3
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -356.402683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.402683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.402683 (E_RNA)
where:
Base-Base interactions energy: -216.050
where: short stacking energy: -123.648
Base-Backbone interact. energy: -0.515
local terms energy: -139.837930
where:
bonds (distance) C4'-P energy: -35.330
bonds (distance) P-C4' energy: -32.180
flat angles C4'-P-C4' energy: -30.229
flat angles P-C4'-P energy: -21.385
tors. eta vs tors. theta energy: -20.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -331.722191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.722191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.722191 (E_RNA)
where:
Base-Base interactions energy: -197.925
where: short stacking energy: -104.327
Base-Backbone interact. energy: -1.090
local terms energy: -132.707310
where:
bonds (distance) C4'-P energy: -30.557
bonds (distance) P-C4' energy: -28.844
flat angles C4'-P-C4' energy: -26.777
flat angles P-C4'-P energy: -20.020
tors. eta vs tors. theta energy: -26.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -334.871601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.871601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.871601 (E_RNA)
where:
Base-Base interactions energy: -212.827
where: short stacking energy: -105.361
Base-Backbone interact. energy: -0.367
local terms energy: -121.677952
where:
bonds (distance) C4'-P energy: -21.674
bonds (distance) P-C4' energy: -28.563
flat angles C4'-P-C4' energy: -32.731
flat angles P-C4'-P energy: -19.807
tors. eta vs tors. theta energy: -18.903
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: 301
Temperature: 1.300000
Total energy: -246.899436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.899436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.899436 (E_RNA)
where:
Base-Base interactions energy: -121.258
where: short stacking energy: -64.056
Base-Backbone interact. energy: -0.440
local terms energy: -125.201804
where:
bonds (distance) C4'-P energy: -31.595
bonds (distance) P-C4' energy: -31.136
flat angles C4'-P-C4' energy: -34.390
flat angles P-C4'-P energy: -14.369
tors. eta vs tors. theta energy: -13.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -217.718199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.718199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.718199 (E_RNA)
where:
Base-Base interactions energy: -112.893
where: short stacking energy: -54.271
Base-Backbone interact. energy: 2.108
local terms energy: -106.933230
where:
bonds (distance) C4'-P energy: -36.500
bonds (distance) P-C4' energy: -25.874
flat angles C4'-P-C4' energy: -28.985
flat angles P-C4'-P energy: -17.813
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: 6
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -558.162079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.162079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.162079 (E_RNA)
where:
Base-Base interactions energy: -382.250
where: short stacking energy: -166.141
Base-Backbone interact. energy: 1.510
local terms energy: -177.422293
where:
bonds (distance) C4'-P energy: -21.544
bonds (distance) P-C4' energy: -41.755
flat angles C4'-P-C4' energy: -39.602
flat angles P-C4'-P energy: -26.983
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: 2, replica: 5
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -570.499871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.499871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.499871 (E_RNA)
where:
Base-Base interactions energy: -380.655
where: short stacking energy: -178.397
Base-Backbone interact. energy: -0.206
local terms energy: -189.639349
where:
bonds (distance) C4'-P energy: -31.593
bonds (distance) P-C4' energy: -34.742
flat angles C4'-P-C4' energy: -37.308
flat angles P-C4'-P energy: -25.429
tors. eta vs tors. theta energy: -60.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -516.624308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.624308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.624308 (E_RNA)
where:
Base-Base interactions energy: -344.734
where: short stacking energy: -157.550
Base-Backbone interact. energy: -1.168
local terms energy: -170.722288
where:
bonds (distance) C4'-P energy: -32.155
bonds (distance) P-C4' energy: -30.722
flat angles C4'-P-C4' energy: -36.466
flat angles P-C4'-P energy: -30.200
tors. eta vs tors. theta energy: -41.180
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: 1
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -472.438961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.438961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.438961 (E_RNA)
where:
Base-Base interactions energy: -302.020
where: short stacking energy: -146.997
Base-Backbone interact. energy: -2.025
local terms energy: -168.393108
where:
bonds (distance) C4'-P energy: -30.303
bonds (distance) P-C4' energy: -38.912
flat angles C4'-P-C4' energy: -34.797
flat angles P-C4'-P energy: -24.384
tors. eta vs tors. theta energy: -39.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -413.593911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.593911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.593911 (E_RNA)
where:
Base-Base interactions energy: -262.949
where: short stacking energy: -135.435
Base-Backbone interact. energy: 0.004
local terms energy: -150.649244
where:
bonds (distance) C4'-P energy: -31.985
bonds (distance) P-C4' energy: -32.189
flat angles C4'-P-C4' energy: -29.465
flat angles P-C4'-P energy: -23.298
tors. eta vs tors. theta energy: -33.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -364.994238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.994238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.994238 (E_RNA)
where:
Base-Base interactions energy: -234.964
where: short stacking energy: -126.274
Base-Backbone interact. energy: -0.274
local terms energy: -129.756633
where:
bonds (distance) C4'-P energy: -28.099
bonds (distance) P-C4' energy: -27.758
flat angles C4'-P-C4' energy: -27.898
flat angles P-C4'-P energy: -17.466
tors. eta vs tors. theta energy: -28.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -339.859986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.859986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.859986 (E_RNA)
where:
Base-Base interactions energy: -211.939
where: short stacking energy: -105.913
Base-Backbone interact. energy: -0.196
local terms energy: -127.724101
where:
bonds (distance) C4'-P energy: -35.053
bonds (distance) P-C4' energy: -25.512
flat angles C4'-P-C4' energy: -28.105
flat angles P-C4'-P energy: -20.121
tors. eta vs tors. theta energy: -18.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -294.142128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.142128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.142128 (E_RNA)
where:
Base-Base interactions energy: -176.576
where: short stacking energy: -93.685
Base-Backbone interact. energy: 0.339
local terms energy: -117.904292
where:
bonds (distance) C4'-P energy: -34.486
bonds (distance) P-C4' energy: -23.434
flat angles C4'-P-C4' energy: -28.332
flat angles P-C4'-P energy: -20.358
tors. eta vs tors. theta energy: -11.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -246.392574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.392574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.392574 (E_RNA)
where:
Base-Base interactions energy: -125.985
where: short stacking energy: -69.994
Base-Backbone interact. energy: -0.267
local terms energy: -120.140600
where:
bonds (distance) C4'-P energy: -28.165
bonds (distance) P-C4' energy: -32.111
flat angles C4'-P-C4' energy: -29.800
flat angles P-C4'-P energy: -25.038
tors. eta vs tors. theta energy: -5.026
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: 302
Temperature: 1.350000
Total energy: -201.888880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.888880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.888880 (E_RNA)
where:
Base-Base interactions energy: -102.824
where: short stacking energy: -67.068
Base-Backbone interact. energy: -0.706
local terms energy: -98.359341
where:
bonds (distance) C4'-P energy: -10.619
bonds (distance) P-C4' energy: -29.990
flat angles C4'-P-C4' energy: -25.690
flat angles P-C4'-P energy: -25.278
tors. eta vs tors. theta energy: -6.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -551.733707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.733707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.733707 (E_RNA)
where:
Base-Base interactions energy: -380.488
where: short stacking energy: -181.339
Base-Backbone interact. energy: 1.906
local terms energy: -173.151898
where:
bonds (distance) C4'-P energy: -35.714
bonds (distance) P-C4' energy: -27.462
flat angles C4'-P-C4' energy: -38.227
flat angles P-C4'-P energy: -23.426
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: 2, replica: 5
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -567.341768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.341768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.341768 (E_RNA)
where:
Base-Base interactions energy: -371.159
where: short stacking energy: -193.630
Base-Backbone interact. energy: -0.130
local terms energy: -196.052799
where:
bonds (distance) C4'-P energy: -29.803
bonds (distance) P-C4' energy: -36.057
flat angles C4'-P-C4' energy: -41.620
flat angles P-C4'-P energy: -33.150
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: 3, replica: 4
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -507.148805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.148805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.148805 (E_RNA)
where:
Base-Base interactions energy: -346.292
where: short stacking energy: -161.062
Base-Backbone interact. energy: -0.823
local terms energy: -160.033734
where:
bonds (distance) C4'-P energy: -32.292
bonds (distance) P-C4' energy: -27.280
flat angles C4'-P-C4' energy: -36.609
flat angles P-C4'-P energy: -21.125
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: 4, replica: 1
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -456.446333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.446333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.446333 (E_RNA)
where:
Base-Base interactions energy: -295.967
where: short stacking energy: -146.240
Base-Backbone interact. energy: -0.701
local terms energy: -159.778129
where:
bonds (distance) C4'-P energy: -29.509
bonds (distance) P-C4' energy: -30.921
flat angles C4'-P-C4' energy: -34.261
flat angles P-C4'-P energy: -30.151
tors. eta vs tors. theta energy: -34.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -411.157188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.157188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.157188 (E_RNA)
where:
Base-Base interactions energy: -263.097
where: short stacking energy: -129.889
Base-Backbone interact. energy: -0.078
local terms energy: -147.981367
where:
bonds (distance) C4'-P energy: -29.674
bonds (distance) P-C4' energy: -31.869
flat angles C4'-P-C4' energy: -37.279
flat angles P-C4'-P energy: -16.927
tors. eta vs tors. theta energy: -32.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -341.184239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.184239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.184239 (E_RNA)
where:
Base-Base interactions energy: -210.981
where: short stacking energy: -93.903
Base-Backbone interact. energy: -0.436
local terms energy: -129.766420
where:
bonds (distance) C4'-P energy: -28.220
bonds (distance) P-C4' energy: -34.235
flat angles C4'-P-C4' energy: -34.933
flat angles P-C4'-P energy: -17.542
tors. eta vs tors. theta energy: -14.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -327.057186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.057186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.057186 (E_RNA)
where:
Base-Base interactions energy: -197.855
where: short stacking energy: -99.716
Base-Backbone interact. energy: -0.675
local terms energy: -128.526230
where:
bonds (distance) C4'-P energy: -30.906
bonds (distance) P-C4' energy: -38.660
flat angles C4'-P-C4' energy: -26.909
flat angles P-C4'-P energy: -12.313
tors. eta vs tors. theta energy: -19.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -261.478981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.478981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.478981 (E_RNA)
where:
Base-Base interactions energy: -151.000
where: short stacking energy: -94.487
Base-Backbone interact. energy: -0.307
local terms energy: -110.172149
where:
bonds (distance) C4'-P energy: -24.632
bonds (distance) P-C4' energy: -33.147
flat angles C4'-P-C4' energy: -16.825
flat angles P-C4'-P energy: -18.098
tors. eta vs tors. theta energy: -17.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -293.968977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.968977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.968977 (E_RNA)
where:
Base-Base interactions energy: -166.481
where: short stacking energy: -77.326
Base-Backbone interact. energy: 0.226
local terms energy: -127.714673
where:
bonds (distance) C4'-P energy: -32.552
bonds (distance) P-C4' energy: -34.093
flat angles C4'-P-C4' energy: -33.469
flat angles P-C4'-P energy: -14.459
tors. eta vs tors. theta energy: -13.141
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: 10
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -158.757291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.757291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.757291 (E_RNA)
where:
Base-Base interactions energy: -62.800
where: short stacking energy: -49.438
Base-Backbone interact. energy: -0.468
local terms energy: -95.489365
where:
bonds (distance) C4'-P energy: -22.111
bonds (distance) P-C4' energy: -22.892
flat angles C4'-P-C4' energy: -31.254
flat angles P-C4'-P energy: -21.554
tors. eta vs tors. theta energy: 2.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -568.460866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.460866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.460866 (E_RNA)
where:
Base-Base interactions energy: -384.054
where: short stacking energy: -188.324
Base-Backbone interact. energy: 0.215
local terms energy: -184.622478
where:
bonds (distance) C4'-P energy: -30.296
bonds (distance) P-C4' energy: -33.685
flat angles C4'-P-C4' energy: -37.260
flat angles P-C4'-P energy: -29.787
tors. eta vs tors. theta energy: -53.594
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: 6
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -543.341420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.341420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.341420 (E_RNA)
where:
Base-Base interactions energy: -372.565
where: short stacking energy: -167.465
Base-Backbone interact. energy: -0.257
local terms energy: -170.519282
where:
bonds (distance) C4'-P energy: -30.293
bonds (distance) P-C4' energy: -39.925
flat angles C4'-P-C4' energy: -33.200
flat angles P-C4'-P energy: -24.020
tors. eta vs tors. theta energy: -43.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -528.323834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.323834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.323834 (E_RNA)
where:
Base-Base interactions energy: -368.441
where: short stacking energy: -159.438
Base-Backbone interact. energy: -0.584
local terms energy: -159.298273
where:
bonds (distance) C4'-P energy: -30.118
bonds (distance) P-C4' energy: -28.591
flat angles C4'-P-C4' energy: -37.386
flat angles P-C4'-P energy: -25.645
tors. eta vs tors. theta energy: -37.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -450.298686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.298686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.298686 (E_RNA)
where:
Base-Base interactions energy: -284.324
where: short stacking energy: -136.683
Base-Backbone interact. energy: -0.196
local terms energy: -165.778327
where:
bonds (distance) C4'-P energy: -32.875
bonds (distance) P-C4' energy: -37.315
flat angles C4'-P-C4' energy: -36.805
flat angles P-C4'-P energy: -23.421
tors. eta vs tors. theta energy: -35.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -428.898557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.898557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.898557 (E_RNA)
where:
Base-Base interactions energy: -266.296
where: short stacking energy: -127.317
Base-Backbone interact. energy: 2.622
local terms energy: -165.225022
where:
bonds (distance) C4'-P energy: -38.373
bonds (distance) P-C4' energy: -30.680
flat angles C4'-P-C4' energy: -33.843
flat angles P-C4'-P energy: -30.575
tors. eta vs tors. theta energy: -31.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -346.744344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.744344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.744344 (E_RNA)
where:
Base-Base interactions energy: -205.502
where: short stacking energy: -89.906
Base-Backbone interact. energy: -0.388
local terms energy: -140.854579
where:
bonds (distance) C4'-P energy: -34.589
bonds (distance) P-C4' energy: -33.794
flat angles C4'-P-C4' energy: -29.363
flat angles P-C4'-P energy: -25.772
tors. eta vs tors. theta energy: -17.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -347.338038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.338038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.338038 (E_RNA)
where:
Base-Base interactions energy: -208.106
where: short stacking energy: -99.163
Base-Backbone interact. energy: -0.503
local terms energy: -138.729023
where:
bonds (distance) C4'-P energy: -33.079
bonds (distance) P-C4' energy: -32.373
flat angles C4'-P-C4' energy: -31.623
flat angles P-C4'-P energy: -20.232
tors. eta vs tors. theta energy: -21.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -252.404506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.404506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.404506 (E_RNA)
where:
Base-Base interactions energy: -137.774
where: short stacking energy: -94.036
Base-Backbone interact. energy: -0.130
local terms energy: -114.500509
where:
bonds (distance) C4'-P energy: -22.145
bonds (distance) P-C4' energy: -34.631
flat angles C4'-P-C4' energy: -26.328
flat angles P-C4'-P energy: -13.046
tors. eta vs tors. theta energy: -18.350
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: 2
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -308.473069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.473069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.473069 (E_RNA)
where:
Base-Base interactions energy: -207.797
where: short stacking energy: -84.867
Base-Backbone interact. energy: 0.939
local terms energy: -101.615424
where:
bonds (distance) C4'-P energy: -26.833
bonds (distance) P-C4' energy: -17.186
flat angles C4'-P-C4' energy: -32.522
flat angles P-C4'-P energy: -10.148
tors. eta vs tors. theta energy: -14.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -169.563179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.563179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.563179 (E_RNA)
where:
Base-Base interactions energy: -56.600
where: short stacking energy: -55.973
Base-Backbone interact. energy: 1.852
local terms energy: -114.814507
where:
bonds (distance) C4'-P energy: -31.516
bonds (distance) P-C4' energy: -33.163
flat angles C4'-P-C4' energy: -29.780
flat angles P-C4'-P energy: -12.509
tors. eta vs tors. theta energy: -7.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -552.877123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.877123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.877123 (E_RNA)
where:
Base-Base interactions energy: -365.975
where: short stacking energy: -179.590
Base-Backbone interact. energy: -0.071
local terms energy: -186.831448
where:
bonds (distance) C4'-P energy: -41.101
bonds (distance) P-C4' energy: -36.375
flat angles C4'-P-C4' energy: -38.380
flat angles P-C4'-P energy: -20.512
tors. eta vs tors. theta energy: -50.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -546.778742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.778742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.778742 (E_RNA)
where:
Base-Base interactions energy: -375.821
where: short stacking energy: -157.980
Base-Backbone interact. energy: -0.651
local terms energy: -170.306390
where:
bonds (distance) C4'-P energy: -35.641
bonds (distance) P-C4' energy: -32.319
flat angles C4'-P-C4' energy: -33.264
flat angles P-C4'-P energy: -28.961
tors. eta vs tors. theta energy: -40.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -514.817160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.817160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.817160 (E_RNA)
where:
Base-Base interactions energy: -349.339
where: short stacking energy: -153.049
Base-Backbone interact. energy: -1.263
local terms energy: -164.215635
where:
bonds (distance) C4'-P energy: -34.491
bonds (distance) P-C4' energy: -34.318
flat angles C4'-P-C4' energy: -32.634
flat angles P-C4'-P energy: -19.914
tors. eta vs tors. theta energy: -42.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -441.864281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.864281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.864281 (E_RNA)
where:
Base-Base interactions energy: -277.803
where: short stacking energy: -134.984
Base-Backbone interact. energy: -0.205
local terms energy: -163.856164
where:
bonds (distance) C4'-P energy: -31.579
bonds (distance) P-C4' energy: -31.420
flat angles C4'-P-C4' energy: -40.678
flat angles P-C4'-P energy: -23.803
tors. eta vs tors. theta energy: -36.376
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: 1
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -431.991904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.991904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.991904 (E_RNA)
where:
Base-Base interactions energy: -275.783
where: short stacking energy: -133.961
Base-Backbone interact. energy: -0.437
local terms energy: -155.771475
where:
bonds (distance) C4'-P energy: -32.854
bonds (distance) P-C4' energy: -31.391
flat angles C4'-P-C4' energy: -38.204
flat angles P-C4'-P energy: -21.574
tors. eta vs tors. theta energy: -31.749
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: 305
Temperature: 1.150000
Total energy: -352.623217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.623217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.623217 (E_RNA)
where:
Base-Base interactions energy: -213.485
where: short stacking energy: -105.979
Base-Backbone interact. energy: 1.206
local terms energy: -140.344477
where:
bonds (distance) C4'-P energy: -29.035
bonds (distance) P-C4' energy: -33.789
flat angles C4'-P-C4' energy: -32.093
flat angles P-C4'-P energy: -22.592
tors. eta vs tors. theta energy: -22.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -329.799788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.799788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.799788 (E_RNA)
where:
Base-Base interactions energy: -199.562
where: short stacking energy: -113.757
Base-Backbone interact. energy: -0.309
local terms energy: -129.929181
where:
bonds (distance) C4'-P energy: -28.816
bonds (distance) P-C4' energy: -29.275
flat angles C4'-P-C4' energy: -32.139
flat angles P-C4'-P energy: -18.677
tors. eta vs tors. theta energy: -21.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -310.315032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.315032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.315032 (E_RNA)
where:
Base-Base interactions energy: -184.074
where: short stacking energy: -91.620
Base-Backbone interact. energy: 1.670
local terms energy: -127.910661
where:
bonds (distance) C4'-P energy: -28.270
bonds (distance) P-C4' energy: -34.793
flat angles C4'-P-C4' energy: -29.310
flat angles P-C4'-P energy: -22.050
tors. eta vs tors. theta energy: -13.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -230.378648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.378648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.378648 (E_RNA)
where:
Base-Base interactions energy: -112.958
where: short stacking energy: -75.770
Base-Backbone interact. energy: 0.832
local terms energy: -118.252369
where:
bonds (distance) C4'-P energy: -34.631
bonds (distance) P-C4' energy: -29.536
flat angles C4'-P-C4' energy: -28.972
flat angles P-C4'-P energy: -14.493
tors. eta vs tors. theta energy: -10.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -150.847306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.847306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.847306 (E_RNA)
where:
Base-Base interactions energy: -46.665
where: short stacking energy: -49.340
Base-Backbone interact. energy: -0.504
local terms energy: -103.678214
where:
bonds (distance) C4'-P energy: -30.307
bonds (distance) P-C4' energy: -32.438
flat angles C4'-P-C4' energy: -25.903
flat angles P-C4'-P energy: -24.783
tors. eta vs tors. theta energy: 9.753
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: 4
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -558.573555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.573555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.573555 (E_RNA)
where:
Base-Base interactions energy: -389.844
where: short stacking energy: -163.114
Base-Backbone interact. energy: -0.555
local terms energy: -168.174563
where:
bonds (distance) C4'-P energy: -33.707
bonds (distance) P-C4' energy: -34.158
flat angles C4'-P-C4' energy: -37.743
flat angles P-C4'-P energy: -24.771
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: 2, replica: 5
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -560.093328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.093328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.093328 (E_RNA)
where:
Base-Base interactions energy: -374.858
where: short stacking energy: -191.101
Base-Backbone interact. energy: -0.307
local terms energy: -184.927789
where:
bonds (distance) C4'-P energy: -32.052
bonds (distance) P-C4' energy: -34.154
flat angles C4'-P-C4' energy: -38.498
flat angles P-C4'-P energy: -22.136
tors. eta vs tors. theta energy: -58.088
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: 6
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -525.531624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.531624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.531624 (E_RNA)
where:
Base-Base interactions energy: -354.512
where: short stacking energy: -166.029
Base-Backbone interact. energy: -0.645
local terms energy: -170.374911
where:
bonds (distance) C4'-P energy: -32.830
bonds (distance) P-C4' energy: -32.663
flat angles C4'-P-C4' energy: -36.282
flat angles P-C4'-P energy: -27.494
tors. eta vs tors. theta energy: -41.106
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: 9
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -442.125375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.125375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.125375 (E_RNA)
where:
Base-Base interactions energy: -292.032
where: short stacking energy: -136.913
Base-Backbone interact. energy: -0.415
local terms energy: -149.678886
where:
bonds (distance) C4'-P energy: -23.491
bonds (distance) P-C4' energy: -37.394
flat angles C4'-P-C4' energy: -31.144
flat angles P-C4'-P energy: -23.020
tors. eta vs tors. theta energy: -34.630
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: 5, replica: 1
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -434.948117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.948117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.948117 (E_RNA)
where:
Base-Base interactions energy: -280.872
where: short stacking energy: -134.485
Base-Backbone interact. energy: -0.774
local terms energy: -153.302680
where:
bonds (distance) C4'-P energy: -35.014
bonds (distance) P-C4' energy: -31.025
flat angles C4'-P-C4' energy: -35.199
flat angles P-C4'-P energy: -16.582
tors. eta vs tors. theta energy: -35.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -352.727487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.727487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.727487 (E_RNA)
where:
Base-Base interactions energy: -205.306
where: short stacking energy: -106.936
Base-Backbone interact. energy: -0.172
local terms energy: -147.248677
where:
bonds (distance) C4'-P energy: -28.594
bonds (distance) P-C4' energy: -35.697
flat angles C4'-P-C4' energy: -33.638
flat angles P-C4'-P energy: -27.262
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: 2
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -347.724292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.724292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.724292 (E_RNA)
where:
Base-Base interactions energy: -236.495
where: short stacking energy: -109.045
Base-Backbone interact. energy: -0.372
local terms energy: -110.856668
where:
bonds (distance) C4'-P energy: -24.783
bonds (distance) P-C4' energy: -29.739
flat angles C4'-P-C4' energy: -21.744
flat angles P-C4'-P energy: -16.599
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: 8, replica: 8
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -313.439853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.439853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.439853 (E_RNA)
where:
Base-Base interactions energy: -185.671
where: short stacking energy: -88.200
Base-Backbone interact. energy: 0.277
local terms energy: -128.045773
where:
bonds (distance) C4'-P energy: -31.289
bonds (distance) P-C4' energy: -29.774
flat angles C4'-P-C4' energy: -31.059
flat angles P-C4'-P energy: -18.695
tors. eta vs tors. theta energy: -17.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -256.322913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.322913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.322913 (E_RNA)
where:
Base-Base interactions energy: -137.838
where: short stacking energy: -65.841
Base-Backbone interact. energy: -1.002
local terms energy: -117.482367
where:
bonds (distance) C4'-P energy: -24.296
bonds (distance) P-C4' energy: -29.638
flat angles C4'-P-C4' energy: -33.316
flat angles P-C4'-P energy: -25.228
tors. eta vs tors. theta energy: -5.005
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: 10
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -222.245870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.245870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.245870 (E_RNA)
where:
Base-Base interactions energy: -103.801
where: short stacking energy: -60.031
Base-Backbone interact. energy: -0.729
local terms energy: -117.716337
where:
bonds (distance) C4'-P energy: -34.578
bonds (distance) P-C4' energy: -34.336
flat angles C4'-P-C4' energy: -29.163
flat angles P-C4'-P energy: -18.484
tors. eta vs tors. theta energy: -1.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -569.627054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.627054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.627054 (E_RNA)
where:
Base-Base interactions energy: -394.891
where: short stacking energy: -173.130
Base-Backbone interact. energy: 0.068
local terms energy: -174.804277
where:
bonds (distance) C4'-P energy: -34.383
bonds (distance) P-C4' energy: -31.565
flat angles C4'-P-C4' energy: -38.750
flat angles P-C4'-P energy: -28.373
tors. eta vs tors. theta energy: -41.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -560.155567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.155567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.155567 (E_RNA)
where:
Base-Base interactions energy: -371.090
where: short stacking energy: -182.608
Base-Backbone interact. energy: -0.183
local terms energy: -188.883075
where:
bonds (distance) C4'-P energy: -35.224
bonds (distance) P-C4' energy: -33.625
flat angles C4'-P-C4' energy: -40.689
flat angles P-C4'-P energy: -24.717
tors. eta vs tors. theta energy: -54.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -527.123840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.123840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.123840 (E_RNA)
where:
Base-Base interactions energy: -364.906
where: short stacking energy: -163.789
Base-Backbone interact. energy: -0.165
local terms energy: -162.053262
where:
bonds (distance) C4'-P energy: -27.162
bonds (distance) P-C4' energy: -27.636
flat angles C4'-P-C4' energy: -39.769
flat angles P-C4'-P energy: -21.292
tors. eta vs tors. theta energy: -46.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -447.255054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.255054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.255054 (E_RNA)
where:
Base-Base interactions energy: -289.840
where: short stacking energy: -132.948
Base-Backbone interact. energy: -1.519
local terms energy: -155.895935
where:
bonds (distance) C4'-P energy: -29.169
bonds (distance) P-C4' energy: -33.867
flat angles C4'-P-C4' energy: -34.752
flat angles P-C4'-P energy: -20.188
tors. eta vs tors. theta energy: -37.920
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: 5, replica: 9
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -420.178774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.178774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.178774 (E_RNA)
where:
Base-Base interactions energy: -269.355
where: short stacking energy: -128.766
Base-Backbone interact. energy: -0.570
local terms energy: -150.254067
where:
bonds (distance) C4'-P energy: -32.595
bonds (distance) P-C4' energy: -37.319
flat angles C4'-P-C4' energy: -27.055
flat angles P-C4'-P energy: -25.014
tors. eta vs tors. theta energy: -28.272
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: 6, replica: 2
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -335.537580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.537580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.537580 (E_RNA)
where:
Base-Base interactions energy: -204.561
where: short stacking energy: -104.215
Base-Backbone interact. energy: -0.051
local terms energy: -130.925205
where:
bonds (distance) C4'-P energy: -27.951
bonds (distance) P-C4' energy: -31.026
flat angles C4'-P-C4' energy: -21.494
flat angles P-C4'-P energy: -22.784
tors. eta vs tors. theta energy: -27.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -337.433079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.433079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.433079 (E_RNA)
where:
Base-Base interactions energy: -200.884
where: short stacking energy: -96.323
Base-Backbone interact. energy: -0.749
local terms energy: -135.800178
where:
bonds (distance) C4'-P energy: -35.833
bonds (distance) P-C4' energy: -39.016
flat angles C4'-P-C4' energy: -33.322
flat angles P-C4'-P energy: -13.950
tors. eta vs tors. theta energy: -13.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -295.339152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.339152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.339152 (E_RNA)
where:
Base-Base interactions energy: -170.942
where: short stacking energy: -79.792
Base-Backbone interact. energy: -1.069
local terms energy: -123.327944
where:
bonds (distance) C4'-P energy: -34.368
bonds (distance) P-C4' energy: -34.199
flat angles C4'-P-C4' energy: -23.747
flat angles P-C4'-P energy: -22.832
tors. eta vs tors. theta energy: -8.182
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: 8
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -318.701947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.701947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.701947 (E_RNA)
where:
Base-Base interactions energy: -193.951
where: short stacking energy: -111.196
Base-Backbone interact. energy: -0.626
local terms energy: -124.124230
where:
bonds (distance) C4'-P energy: -32.759
bonds (distance) P-C4' energy: -34.282
flat angles C4'-P-C4' energy: -16.235
flat angles P-C4'-P energy: -19.594
tors. eta vs tors. theta energy: -21.255
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: 10
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -218.921333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.921333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.921333 (E_RNA)
where:
Base-Base interactions energy: -114.156
where: short stacking energy: -72.230
Base-Backbone interact. energy: 4.172
local terms energy: -108.937116
where:
bonds (distance) C4'-P energy: -31.193
bonds (distance) P-C4' energy: -31.171
flat angles C4'-P-C4' energy: -31.417
flat angles P-C4'-P energy: -11.664
tors. eta vs tors. theta energy: -3.492
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: 4
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -545.498856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.498856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.498856 (E_RNA)
where:
Base-Base interactions energy: -380.732
where: short stacking energy: -169.800
Base-Backbone interact. energy: -0.187
local terms energy: -164.579684
where:
bonds (distance) C4'-P energy: -26.706
bonds (distance) P-C4' energy: -29.949
flat angles C4'-P-C4' energy: -38.461
flat angles P-C4'-P energy: -24.594
tors. eta vs tors. theta energy: -44.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -556.586170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.586170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.586170 (E_RNA)
where:
Base-Base interactions energy: -363.241
where: short stacking energy: -184.739
Base-Backbone interact. energy: -0.219
local terms energy: -193.126312
where:
bonds (distance) C4'-P energy: -34.509
bonds (distance) P-C4' energy: -38.049
flat angles C4'-P-C4' energy: -35.305
flat angles P-C4'-P energy: -27.399
tors. eta vs tors. theta energy: -57.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -509.006408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.006408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.006408 (E_RNA)
where:
Base-Base interactions energy: -344.771
where: short stacking energy: -157.334
Base-Backbone interact. energy: -0.162
local terms energy: -164.073846
where:
bonds (distance) C4'-P energy: -28.010
bonds (distance) P-C4' energy: -33.127
flat angles C4'-P-C4' energy: -37.170
flat angles P-C4'-P energy: -27.531
tors. eta vs tors. theta energy: -38.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -454.274527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.274527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.274527 (E_RNA)
where:
Base-Base interactions energy: -298.074
where: short stacking energy: -146.530
Base-Backbone interact. energy: -1.013
local terms energy: -155.187654
where:
bonds (distance) C4'-P energy: -31.690
bonds (distance) P-C4' energy: -23.189
flat angles C4'-P-C4' energy: -35.305
flat angles P-C4'-P energy: -23.913
tors. eta vs tors. theta energy: -41.090
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: 9
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -411.368886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.368886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.368886 (E_RNA)
where:
Base-Base interactions energy: -259.213
where: short stacking energy: -139.514
Base-Backbone interact. energy: 0.184
local terms energy: -152.340449
where:
bonds (distance) C4'-P energy: -30.837
bonds (distance) P-C4' energy: -30.063
flat angles C4'-P-C4' energy: -33.067
flat angles P-C4'-P energy: -27.609
tors. eta vs tors. theta energy: -30.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -351.626985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.626985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.626985 (E_RNA)
where:
Base-Base interactions energy: -215.624
where: short stacking energy: -116.279
Base-Backbone interact. energy: -0.104
local terms energy: -135.899129
where:
bonds (distance) C4'-P energy: -31.866
bonds (distance) P-C4' energy: -38.854
flat angles C4'-P-C4' energy: -32.005
flat angles P-C4'-P energy: -18.868
tors. eta vs tors. theta energy: -14.306
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: 3
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -325.840964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.840964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.840964 (E_RNA)
where:
Base-Base interactions energy: -191.728
where: short stacking energy: -84.818
Base-Backbone interact. energy: 0.069
local terms energy: -134.181804
where:
bonds (distance) C4'-P energy: -33.016
bonds (distance) P-C4' energy: -33.114
flat angles C4'-P-C4' energy: -33.589
flat angles P-C4'-P energy: -24.710
tors. eta vs tors. theta energy: -9.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -292.906820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.906820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.906820 (E_RNA)
where:
Base-Base interactions energy: -165.082
where: short stacking energy: -96.663
Base-Backbone interact. energy: 5.133
local terms energy: -132.958175
where:
bonds (distance) C4'-P energy: -33.500
bonds (distance) P-C4' energy: -31.405
flat angles C4'-P-C4' energy: -30.972
flat angles P-C4'-P energy: -23.602
tors. eta vs tors. theta energy: -13.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -278.091752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.091752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.091752 (E_RNA)
where:
Base-Base interactions energy: -165.094
where: short stacking energy: -78.001
Base-Backbone interact. energy: -1.216
local terms energy: -111.781395
where:
bonds (distance) C4'-P energy: -32.340
bonds (distance) P-C4' energy: -24.523
flat angles C4'-P-C4' energy: -29.892
flat angles P-C4'-P energy: -19.722
tors. eta vs tors. theta energy: -5.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -174.920749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.920749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.920749 (E_RNA)
where:
Base-Base interactions energy: -63.418
where: short stacking energy: -49.174
Base-Backbone interact. energy: -0.525
local terms energy: -110.977953
where:
bonds (distance) C4'-P energy: -37.730
bonds (distance) P-C4' energy: -35.302
flat angles C4'-P-C4' energy: -20.766
flat angles P-C4'-P energy: -12.933
tors. eta vs tors. theta energy: -4.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -555.233595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.233595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.233595 (E_RNA)
where:
Base-Base interactions energy: -373.648
where: short stacking energy: -171.892
Base-Backbone interact. energy: -0.301
local terms energy: -181.284300
where:
bonds (distance) C4'-P energy: -34.983
bonds (distance) P-C4' energy: -36.762
flat angles C4'-P-C4' energy: -37.102
flat angles P-C4'-P energy: -25.013
tors. eta vs tors. theta energy: -47.424
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: 2, replica: 5
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -543.229160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.229160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.229160 (E_RNA)
where:
Base-Base interactions energy: -354.707
where: short stacking energy: -179.863
Base-Backbone interact. energy: -1.812
local terms energy: -186.710403
where:
bonds (distance) C4'-P energy: -34.687
bonds (distance) P-C4' energy: -38.628
flat angles C4'-P-C4' energy: -34.815
flat angles P-C4'-P energy: -21.324
tors. eta vs tors. theta energy: -57.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -518.685027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.685027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.685027 (E_RNA)
where:
Base-Base interactions energy: -353.617
where: short stacking energy: -162.564
Base-Backbone interact. energy: -0.628
local terms energy: -164.439302
where:
bonds (distance) C4'-P energy: -24.173
bonds (distance) P-C4' energy: -31.516
flat angles C4'-P-C4' energy: -36.210
flat angles P-C4'-P energy: -25.986
tors. eta vs tors. theta energy: -46.554
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: 1
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -441.490203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.490203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.490203 (E_RNA)
where:
Base-Base interactions energy: -281.874
where: short stacking energy: -143.214
Base-Backbone interact. energy: 0.924
local terms energy: -160.540839
where:
bonds (distance) C4'-P energy: -26.191
bonds (distance) P-C4' energy: -32.065
flat angles C4'-P-C4' energy: -39.258
flat angles P-C4'-P energy: -25.295
tors. eta vs tors. theta energy: -37.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -405.227671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.227671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.227671 (E_RNA)
where:
Base-Base interactions energy: -270.278
where: short stacking energy: -122.907
Base-Backbone interact. energy: -0.398
local terms energy: -134.551792
where:
bonds (distance) C4'-P energy: -24.223
bonds (distance) P-C4' energy: -29.396
flat angles C4'-P-C4' energy: -31.564
flat angles P-C4'-P energy: -19.484
tors. eta vs tors. theta energy: -29.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -348.771202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.771202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.771202 (E_RNA)
where:
Base-Base interactions energy: -213.521
where: short stacking energy: -114.372
Base-Backbone interact. energy: -0.596
local terms energy: -134.653674
where:
bonds (distance) C4'-P energy: -32.237
bonds (distance) P-C4' energy: -20.305
flat angles C4'-P-C4' energy: -30.588
flat angles P-C4'-P energy: -23.201
tors. eta vs tors. theta energy: -28.324
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: 2
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -354.570843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.570843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.570843 (E_RNA)
where:
Base-Base interactions energy: -232.070
where: short stacking energy: -99.176
Base-Backbone interact. energy: 3.084
local terms energy: -125.585282
where:
bonds (distance) C4'-P energy: -35.015
bonds (distance) P-C4' energy: -26.624
flat angles C4'-P-C4' energy: -26.424
flat angles P-C4'-P energy: -19.587
tors. eta vs tors. theta energy: -17.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -307.653987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.653987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.653987 (E_RNA)
where:
Base-Base interactions energy: -190.982
where: short stacking energy: -93.488
Base-Backbone interact. energy: 0.739
local terms energy: -117.411302
where:
bonds (distance) C4'-P energy: -31.404
bonds (distance) P-C4' energy: -26.091
flat angles C4'-P-C4' energy: -36.239
flat angles P-C4'-P energy: -9.174
tors. eta vs tors. theta energy: -14.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -278.473273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.473273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.473273 (E_RNA)
where:
Base-Base interactions energy: -166.307
where: short stacking energy: -78.813
Base-Backbone interact. energy: 3.480
local terms energy: -115.645580
where:
bonds (distance) C4'-P energy: -35.972
bonds (distance) P-C4' energy: -27.225
flat angles C4'-P-C4' energy: -27.447
flat angles P-C4'-P energy: -16.518
tors. eta vs tors. theta energy: -8.484
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: 10
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -149.166078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.166078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.166078 (E_RNA)
where:
Base-Base interactions energy: -52.836
where: short stacking energy: -49.720
Base-Backbone interact. energy: 0.745
local terms energy: -97.075550
where:
bonds (distance) C4'-P energy: -28.378
bonds (distance) P-C4' energy: -27.376
flat angles C4'-P-C4' energy: -23.642
flat angles P-C4'-P energy: -21.624
tors. eta vs tors. theta energy: 3.944
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: 1, replica: 5
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -575.992411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.992411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.992411 (E_RNA)
where:
Base-Base interactions energy: -387.057
where: short stacking energy: -199.853
Base-Backbone interact. energy: 0.813
local terms energy: -189.747636
where:
bonds (distance) C4'-P energy: -29.527
bonds (distance) P-C4' energy: -38.091
flat angles C4'-P-C4' energy: -38.888
flat angles P-C4'-P energy: -25.283
tors. eta vs tors. theta energy: -57.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -557.051798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.051798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.051798 (E_RNA)
where:
Base-Base interactions energy: -383.154
where: short stacking energy: -168.770
Base-Backbone interact. energy: -1.094
local terms energy: -172.803523
where:
bonds (distance) C4'-P energy: -28.190
bonds (distance) P-C4' energy: -38.282
flat angles C4'-P-C4' energy: -35.786
flat angles P-C4'-P energy: -27.722
tors. eta vs tors. theta energy: -42.823
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: 6
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -535.750501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.750501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.750501 (E_RNA)
where:
Base-Base interactions energy: -365.358
where: short stacking energy: -176.309
Base-Backbone interact. energy: -0.815
local terms energy: -169.577035
where:
bonds (distance) C4'-P energy: -29.541
bonds (distance) P-C4' energy: -31.959
flat angles C4'-P-C4' energy: -37.717
flat angles P-C4'-P energy: -25.227
tors. eta vs tors. theta energy: -45.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -440.467690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.467690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.467690 (E_RNA)
where:
Base-Base interactions energy: -285.549
where: short stacking energy: -150.480
Base-Backbone interact. energy: -0.066
local terms energy: -154.852382
where:
bonds (distance) C4'-P energy: -26.580
bonds (distance) P-C4' energy: -33.793
flat angles C4'-P-C4' energy: -37.309
flat angles P-C4'-P energy: -19.025
tors. eta vs tors. theta energy: -38.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -397.476360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.476360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.476360 (E_RNA)
where:
Base-Base interactions energy: -258.330
where: short stacking energy: -136.768
Base-Backbone interact. energy: 0.773
local terms energy: -139.919083
where:
bonds (distance) C4'-P energy: -25.387
bonds (distance) P-C4' energy: -31.491
flat angles C4'-P-C4' energy: -33.079
flat angles P-C4'-P energy: -21.086
tors. eta vs tors. theta energy: -28.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -376.020103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.020103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.020103 (E_RNA)
where:
Base-Base interactions energy: -226.533
where: short stacking energy: -122.619
Base-Backbone interact. energy: -0.142
local terms energy: -149.345193
where:
bonds (distance) C4'-P energy: -33.325
bonds (distance) P-C4' energy: -29.748
flat angles C4'-P-C4' energy: -33.704
flat angles P-C4'-P energy: -21.058
tors. eta vs tors. theta energy: -31.509
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: 8
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -342.619817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.619817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.619817 (E_RNA)
where:
Base-Base interactions energy: -229.501
where: short stacking energy: -104.706
Base-Backbone interact. energy: -0.574
local terms energy: -112.545222
where:
bonds (distance) C4'-P energy: -21.149
bonds (distance) P-C4' energy: -34.147
flat angles C4'-P-C4' energy: -18.177
flat angles P-C4'-P energy: -17.210
tors. eta vs tors. theta energy: -21.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -317.852981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.852981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.852981 (E_RNA)
where:
Base-Base interactions energy: -193.804
where: short stacking energy: -77.167
Base-Backbone interact. energy: 0.141
local terms energy: -124.190146
where:
bonds (distance) C4'-P energy: -33.173
bonds (distance) P-C4' energy: -32.457
flat angles C4'-P-C4' energy: -28.697
flat angles P-C4'-P energy: -21.644
tors. eta vs tors. theta energy: -8.219
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: 7
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -287.196367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.196367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.196367 (E_RNA)
where:
Base-Base interactions energy: -177.557
where: short stacking energy: -87.977
Base-Backbone interact. energy: -0.444
local terms energy: -109.194854
where:
bonds (distance) C4'-P energy: -24.330
bonds (distance) P-C4' energy: -26.726
flat angles C4'-P-C4' energy: -29.630
flat angles P-C4'-P energy: -14.647
tors. eta vs tors. theta energy: -13.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -153.480318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.480318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.480318 (E_RNA)
where:
Base-Base interactions energy: -50.506
where: short stacking energy: -46.061
Base-Backbone interact. energy: 3.832
local terms energy: -106.805940
where:
bonds (distance) C4'-P energy: -28.482
bonds (distance) P-C4' energy: -34.367
flat angles C4'-P-C4' energy: -27.408
flat angles P-C4'-P energy: -22.037
tors. eta vs tors. theta energy: 5.488
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: 1, replica: 5
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -554.353349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.353349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.353349 (E_RNA)
where:
Base-Base interactions energy: -370.173
where: short stacking energy: -191.216
Base-Backbone interact. energy: -0.302
local terms energy: -183.879026
where:
bonds (distance) C4'-P energy: -30.144
bonds (distance) P-C4' energy: -36.726
flat angles C4'-P-C4' energy: -37.071
flat angles P-C4'-P energy: -20.620
tors. eta vs tors. theta energy: -59.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -537.779459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.779459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.779459 (E_RNA)
where:
Base-Base interactions energy: -357.134
where: short stacking energy: -169.334
Base-Backbone interact. energy: -1.551
local terms energy: -179.094607
where:
bonds (distance) C4'-P energy: -37.887
bonds (distance) P-C4' energy: -33.505
flat angles C4'-P-C4' energy: -37.783
flat angles P-C4'-P energy: -25.711
tors. eta vs tors. theta energy: -44.209
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: 4
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -512.336784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.336784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.336784 (E_RNA)
where:
Base-Base interactions energy: -342.510
where: short stacking energy: -156.466
Base-Backbone interact. energy: -0.724
local terms energy: -169.103031
where:
bonds (distance) C4'-P energy: -39.448
bonds (distance) P-C4' energy: -33.154
flat angles C4'-P-C4' energy: -37.304
flat angles P-C4'-P energy: -19.692
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: 4, replica: 9
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -419.772422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.772422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.772422 (E_RNA)
where:
Base-Base interactions energy: -273.295
where: short stacking energy: -132.811
Base-Backbone interact. energy: -1.028
local terms energy: -145.448820
where:
bonds (distance) C4'-P energy: -27.630
bonds (distance) P-C4' energy: -29.302
flat angles C4'-P-C4' energy: -32.389
flat angles P-C4'-P energy: -22.403
tors. eta vs tors. theta energy: -33.725
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: 1
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -410.891393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.891393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.891393 (E_RNA)
where:
Base-Base interactions energy: -267.079
where: short stacking energy: -133.067
Base-Backbone interact. energy: 0.375
local terms energy: -144.186536
where:
bonds (distance) C4'-P energy: -27.240
bonds (distance) P-C4' energy: -37.533
flat angles C4'-P-C4' energy: -31.909
flat angles P-C4'-P energy: -19.564
tors. eta vs tors. theta energy: -27.941
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: 311
Temperature: 1.150000
Total energy: -364.070804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.070804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.070804 (E_RNA)
where:
Base-Base interactions energy: -224.141
where: short stacking energy: -114.529
Base-Backbone interact. energy: -1.661
local terms energy: -138.269037
where:
bonds (distance) C4'-P energy: -30.117
bonds (distance) P-C4' energy: -31.828
flat angles C4'-P-C4' energy: -36.891
flat angles P-C4'-P energy: -13.475
tors. eta vs tors. theta energy: -25.958
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: 311
Temperature: 1.200000
Total energy: -317.967915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.967915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.967915 (E_RNA)
where:
Base-Base interactions energy: -200.633
where: short stacking energy: -102.539
Base-Backbone interact. energy: -0.632
local terms energy: -116.703283
where:
bonds (distance) C4'-P energy: -32.445
bonds (distance) P-C4' energy: -29.744
flat angles C4'-P-C4' energy: -24.415
flat angles P-C4'-P energy: -16.019
tors. eta vs tors. theta energy: -14.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -300.485059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.485059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.485059 (E_RNA)
where:
Base-Base interactions energy: -171.278
where: short stacking energy: -94.890
Base-Backbone interact. energy: -0.439
local terms energy: -128.768023
where:
bonds (distance) C4'-P energy: -36.622
bonds (distance) P-C4' energy: -25.069
flat angles C4'-P-C4' energy: -32.909
flat angles P-C4'-P energy: -14.363
tors. eta vs tors. theta energy: -19.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -290.329289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.329289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.329289 (E_RNA)
where:
Base-Base interactions energy: -166.472
where: short stacking energy: -84.906
Base-Backbone interact. energy: 0.745
local terms energy: -124.603069
where:
bonds (distance) C4'-P energy: -34.803
bonds (distance) P-C4' energy: -32.826
flat angles C4'-P-C4' energy: -36.778
flat angles P-C4'-P energy: -10.328
tors. eta vs tors. theta energy: -9.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -170.559065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.559065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.559065 (E_RNA)
where:
Base-Base interactions energy: -64.793
where: short stacking energy: -49.633
Base-Backbone interact. energy: 0.800
local terms energy: -106.565987
where:
bonds (distance) C4'-P energy: -29.911
bonds (distance) P-C4' energy: -36.223
flat angles C4'-P-C4' energy: -27.446
flat angles P-C4'-P energy: -12.853
tors. eta vs tors. theta energy: -0.134
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: 6
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -548.420374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.420374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.420374 (E_RNA)
where:
Base-Base interactions energy: -363.965
where: short stacking energy: -172.318
Base-Backbone interact. energy: -0.040
local terms energy: -184.415361
where:
bonds (distance) C4'-P energy: -31.232
bonds (distance) P-C4' energy: -38.928
flat angles C4'-P-C4' energy: -40.540
flat angles P-C4'-P energy: -28.353
tors. eta vs tors. theta energy: -45.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -556.888509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.888509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.888509 (E_RNA)
where:
Base-Base interactions energy: -365.532
where: short stacking energy: -185.844
Base-Backbone interact. energy: -0.055
local terms energy: -191.301262
where:
bonds (distance) C4'-P energy: -36.520
bonds (distance) P-C4' energy: -34.836
flat angles C4'-P-C4' energy: -40.868
flat angles P-C4'-P energy: -23.563
tors. eta vs tors. theta energy: -55.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -436.010409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.010409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.010409 (E_RNA)
where:
Base-Base interactions energy: -279.242
where: short stacking energy: -138.775
Base-Backbone interact. energy: -1.214
local terms energy: -155.554079
where:
bonds (distance) C4'-P energy: -34.448
bonds (distance) P-C4' energy: -31.246
flat angles C4'-P-C4' energy: -31.479
flat angles P-C4'-P energy: -21.303
tors. eta vs tors. theta energy: -37.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -520.966969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.966969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.966969 (E_RNA)
where:
Base-Base interactions energy: -352.929
where: short stacking energy: -157.978
Base-Backbone interact. energy: -0.138
local terms energy: -167.900400
where:
bonds (distance) C4'-P energy: -24.129
bonds (distance) P-C4' energy: -36.220
flat angles C4'-P-C4' energy: -41.600
flat angles P-C4'-P energy: -25.254
tors. eta vs tors. theta energy: -40.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -412.707050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.707050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.707050 (E_RNA)
where:
Base-Base interactions energy: -254.765
where: short stacking energy: -112.992
Base-Backbone interact. energy: -0.795
local terms energy: -157.146907
where:
bonds (distance) C4'-P energy: -36.645
bonds (distance) P-C4' energy: -37.064
flat angles C4'-P-C4' energy: -37.861
flat angles P-C4'-P energy: -20.480
tors. eta vs tors. theta energy: -25.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -345.178653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.178653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.178653 (E_RNA)
where:
Base-Base interactions energy: -207.049
where: short stacking energy: -108.926
Base-Backbone interact. energy: -1.332
local terms energy: -136.797951
where:
bonds (distance) C4'-P energy: -31.136
bonds (distance) P-C4' energy: -35.526
flat angles C4'-P-C4' energy: -27.888
flat angles P-C4'-P energy: -18.024
tors. eta vs tors. theta energy: -24.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -325.803913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.803913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.803913 (E_RNA)
where:
Base-Base interactions energy: -200.856
where: short stacking energy: -95.218
Base-Backbone interact. energy: -0.330
local terms energy: -124.618537
where:
bonds (distance) C4'-P energy: -33.469
bonds (distance) P-C4' energy: -37.298
flat angles C4'-P-C4' energy: -23.431
flat angles P-C4'-P energy: -19.432
tors. eta vs tors. theta energy: -10.988
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: 7
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -307.571131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.571131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.571131 (E_RNA)
where:
Base-Base interactions energy: -181.736
where: short stacking energy: -91.211
Base-Backbone interact. energy: -1.309
local terms energy: -124.526516
where:
bonds (distance) C4'-P energy: -31.019
bonds (distance) P-C4' energy: -32.144
flat angles C4'-P-C4' energy: -29.383
flat angles P-C4'-P energy: -21.088
tors. eta vs tors. theta energy: -10.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -293.498386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.498386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.498386 (E_RNA)
where:
Base-Base interactions energy: -183.923
where: short stacking energy: -85.804
Base-Backbone interact. energy: 0.821
local terms energy: -110.396448
where:
bonds (distance) C4'-P energy: -19.764
bonds (distance) P-C4' energy: -25.387
flat angles C4'-P-C4' energy: -33.910
flat angles P-C4'-P energy: -20.448
tors. eta vs tors. theta energy: -10.888
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: 10
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -177.474579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.474579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.474579 (E_RNA)
where:
Base-Base interactions energy: -78.623
where: short stacking energy: -55.712
Base-Backbone interact. energy: 0.830
local terms energy: -99.681777
where:
bonds (distance) C4'-P energy: -21.127
bonds (distance) P-C4' energy: -29.071
flat angles C4'-P-C4' energy: -33.818
flat angles P-C4'-P energy: -15.169
tors. eta vs tors. theta energy: -0.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -555.350172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.350172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.350172 (E_RNA)
where:
Base-Base interactions energy: -370.350
where: short stacking energy: -171.399
Base-Backbone interact. energy: -1.062
local terms energy: -183.938525
where:
bonds (distance) C4'-P energy: -33.540
bonds (distance) P-C4' energy: -36.571
flat angles C4'-P-C4' energy: -37.180
flat angles P-C4'-P energy: -27.500
tors. eta vs tors. theta energy: -49.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -558.711829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.711829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.711829 (E_RNA)
where:
Base-Base interactions energy: -363.096
where: short stacking energy: -186.576
Base-Backbone interact. energy: 0.109
local terms energy: -195.724513
where:
bonds (distance) C4'-P energy: -33.461
bonds (distance) P-C4' energy: -36.859
flat angles C4'-P-C4' energy: -39.283
flat angles P-C4'-P energy: -29.596
tors. eta vs tors. theta energy: -56.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -462.730574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.730574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.730574 (E_RNA)
where:
Base-Base interactions energy: -302.556
where: short stacking energy: -152.535
Base-Backbone interact. energy: -0.708
local terms energy: -159.466880
where:
bonds (distance) C4'-P energy: -32.299
bonds (distance) P-C4' energy: -33.706
flat angles C4'-P-C4' energy: -36.656
flat angles P-C4'-P energy: -23.429
tors. eta vs tors. theta energy: -33.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -517.879810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.879810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.879810 (E_RNA)
where:
Base-Base interactions energy: -352.396
where: short stacking energy: -166.164
Base-Backbone interact. energy: -0.377
local terms energy: -165.106415
where:
bonds (distance) C4'-P energy: -34.223
bonds (distance) P-C4' energy: -31.448
flat angles C4'-P-C4' energy: -32.773
flat angles P-C4'-P energy: -24.451
tors. eta vs tors. theta energy: -42.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -414.479216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.479216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.479216 (E_RNA)
where:
Base-Base interactions energy: -267.639
where: short stacking energy: -119.268
Base-Backbone interact. energy: 0.533
local terms energy: -147.373604
where:
bonds (distance) C4'-P energy: -32.718
bonds (distance) P-C4' energy: -31.954
flat angles C4'-P-C4' energy: -35.516
flat angles P-C4'-P energy: -21.866
tors. eta vs tors. theta energy: -25.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -353.166862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.166862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.166862 (E_RNA)
where:
Base-Base interactions energy: -227.925
where: short stacking energy: -110.608
Base-Backbone interact. energy: -0.137
local terms energy: -125.104860
where:
bonds (distance) C4'-P energy: -28.038
bonds (distance) P-C4' energy: -39.546
flat angles C4'-P-C4' energy: -31.841
flat angles P-C4'-P energy: -8.398
tors. eta vs tors. theta energy: -17.282
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: 8
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -324.995050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.995050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.995050 (E_RNA)
where:
Base-Base interactions energy: -199.026
where: short stacking energy: -94.646
Base-Backbone interact. energy: 1.069
local terms energy: -127.038403
where:
bonds (distance) C4'-P energy: -30.702
bonds (distance) P-C4' energy: -33.387
flat angles C4'-P-C4' energy: -34.410
flat angles P-C4'-P energy: -18.235
tors. eta vs tors. theta energy: -10.304
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: 2
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -324.223143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.223143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.223143 (E_RNA)
where:
Base-Base interactions energy: -187.910
where: short stacking energy: -103.213
Base-Backbone interact. energy: 0.402
local terms energy: -136.714880
where:
bonds (distance) C4'-P energy: -28.378
bonds (distance) P-C4' energy: -32.451
flat angles C4'-P-C4' energy: -31.440
flat angles P-C4'-P energy: -21.880
tors. eta vs tors. theta energy: -22.566
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: 7
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -263.693830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.693830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.693830 (E_RNA)
where:
Base-Base interactions energy: -141.044
where: short stacking energy: -77.860
Base-Backbone interact. energy: -0.521
local terms energy: -122.128953
where:
bonds (distance) C4'-P energy: -31.427
bonds (distance) P-C4' energy: -29.700
flat angles C4'-P-C4' energy: -30.798
flat angles P-C4'-P energy: -16.074
tors. eta vs tors. theta energy: -14.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -163.077730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.077730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.077730 (E_RNA)
where:
Base-Base interactions energy: -58.884
where: short stacking energy: -38.217
Base-Backbone interact. energy: -0.728
local terms energy: -103.465741
where:
bonds (distance) C4'-P energy: -31.654
bonds (distance) P-C4' energy: -32.119
flat angles C4'-P-C4' energy: -27.289
flat angles P-C4'-P energy: -16.742
tors. eta vs tors. theta energy: 4.338
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: 5
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -571.986624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.986624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.986624 (E_RNA)
where:
Base-Base interactions energy: -379.806
where: short stacking energy: -192.511
Base-Backbone interact. energy: -0.037
local terms energy: -192.143419
where:
bonds (distance) C4'-P energy: -36.303
bonds (distance) P-C4' energy: -32.871
flat angles C4'-P-C4' energy: -42.728
flat angles P-C4'-P energy: -28.274
tors. eta vs tors. theta energy: -51.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -542.850870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.850870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.850870 (E_RNA)
where:
Base-Base interactions energy: -371.147
where: short stacking energy: -172.175
Base-Backbone interact. energy: -0.578
local terms energy: -171.125764
where:
bonds (distance) C4'-P energy: -31.313
bonds (distance) P-C4' energy: -35.845
flat angles C4'-P-C4' energy: -34.839
flat angles P-C4'-P energy: -23.225
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: 3, replica: 4
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -530.432319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.432319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.432319 (E_RNA)
where:
Base-Base interactions energy: -361.636
where: short stacking energy: -152.944
Base-Backbone interact. energy: -0.509
local terms energy: -168.286532
where:
bonds (distance) C4'-P energy: -30.824
bonds (distance) P-C4' energy: -38.022
flat angles C4'-P-C4' energy: -41.717
flat angles P-C4'-P energy: -21.550
tors. eta vs tors. theta energy: -36.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -443.894912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.894912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.894912 (E_RNA)
where:
Base-Base interactions energy: -278.255
where: short stacking energy: -143.352
Base-Backbone interact. energy: 1.425
local terms energy: -167.064910
where:
bonds (distance) C4'-P energy: -33.040
bonds (distance) P-C4' energy: -34.954
flat angles C4'-P-C4' energy: -33.938
flat angles P-C4'-P energy: -24.557
tors. eta vs tors. theta energy: -40.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -386.546519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.546519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.546519 (E_RNA)
where:
Base-Base interactions energy: -245.186
where: short stacking energy: -115.875
Base-Backbone interact. energy: -0.693
local terms energy: -140.667578
where:
bonds (distance) C4'-P energy: -28.910
bonds (distance) P-C4' energy: -33.261
flat angles C4'-P-C4' energy: -30.976
flat angles P-C4'-P energy: -23.529
tors. eta vs tors. theta energy: -23.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -349.989269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.989269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.989269 (E_RNA)
where:
Base-Base interactions energy: -212.350
where: short stacking energy: -111.666
Base-Backbone interact. energy: -0.297
local terms energy: -137.342214
where:
bonds (distance) C4'-P energy: -33.078
bonds (distance) P-C4' energy: -36.338
flat angles C4'-P-C4' energy: -27.611
flat angles P-C4'-P energy: -14.460
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: 7, replica: 2
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -352.469139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.469139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.469139 (E_RNA)
where:
Base-Base interactions energy: -215.115
where: short stacking energy: -127.153
Base-Backbone interact. energy: -0.271
local terms energy: -137.082842
where:
bonds (distance) C4'-P energy: -16.994
bonds (distance) P-C4' energy: -36.398
flat angles C4'-P-C4' energy: -33.767
flat angles P-C4'-P energy: -20.220
tors. eta vs tors. theta energy: -29.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -317.550638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.550638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.550638 (E_RNA)
where:
Base-Base interactions energy: -193.380
where: short stacking energy: -110.748
Base-Backbone interact. energy: 0.074
local terms energy: -124.244541
where:
bonds (distance) C4'-P energy: -29.223
bonds (distance) P-C4' energy: -27.245
flat angles C4'-P-C4' energy: -26.861
flat angles P-C4'-P energy: -17.094
tors. eta vs tors. theta energy: -23.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -281.389620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.389620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.389620 (E_RNA)
where:
Base-Base interactions energy: -167.701
where: short stacking energy: -75.677
Base-Backbone interact. energy: 2.604
local terms energy: -116.292080
where:
bonds (distance) C4'-P energy: -28.078
bonds (distance) P-C4' energy: -30.451
flat angles C4'-P-C4' energy: -25.846
flat angles P-C4'-P energy: -20.583
tors. eta vs tors. theta energy: -11.335
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: 10, replica: 10
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -173.009145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.009145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.009145 (E_RNA)
where:
Base-Base interactions energy: -73.357
where: short stacking energy: -73.357
Base-Backbone interact. energy: 3.418
local terms energy: -103.070487
where:
bonds (distance) C4'-P energy: -22.889
bonds (distance) P-C4' energy: -23.754
flat angles C4'-P-C4' energy: -28.269
flat angles P-C4'-P energy: -19.351
tors. eta vs tors. theta energy: -8.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -561.683400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.683400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.683400 (E_RNA)
where:
Base-Base interactions energy: -367.747
where: short stacking energy: -196.018
Base-Backbone interact. energy: 0.273
local terms energy: -194.209346
where:
bonds (distance) C4'-P energy: -35.140
bonds (distance) P-C4' energy: -32.960
flat angles C4'-P-C4' energy: -40.347
flat angles P-C4'-P energy: -32.144
tors. eta vs tors. theta energy: -53.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -537.760755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.760755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.760755 (E_RNA)
where:
Base-Base interactions energy: -371.709
where: short stacking energy: -162.203
Base-Backbone interact. energy: -0.362
local terms energy: -165.689819
where:
bonds (distance) C4'-P energy: -33.964
bonds (distance) P-C4' energy: -32.157
flat angles C4'-P-C4' energy: -34.286
flat angles P-C4'-P energy: -25.102
tors. eta vs tors. theta energy: -40.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -519.975790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.975790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.975790 (E_RNA)
where:
Base-Base interactions energy: -350.465
where: short stacking energy: -151.005
Base-Backbone interact. energy: -0.251
local terms energy: -169.259645
where:
bonds (distance) C4'-P energy: -32.494
bonds (distance) P-C4' energy: -35.021
flat angles C4'-P-C4' energy: -33.831
flat angles P-C4'-P energy: -27.619
tors. eta vs tors. theta energy: -40.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -460.640287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.640287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.640287 (E_RNA)
where:
Base-Base interactions energy: -298.047
where: short stacking energy: -148.109
Base-Backbone interact. energy: -0.465
local terms energy: -162.127974
where:
bonds (distance) C4'-P energy: -32.266
bonds (distance) P-C4' energy: -32.887
flat angles C4'-P-C4' energy: -33.125
flat angles P-C4'-P energy: -27.224
tors. eta vs tors. theta energy: -36.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -382.351651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.351651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.351651 (E_RNA)
where:
Base-Base interactions energy: -246.307
where: short stacking energy: -123.110
Base-Backbone interact. energy: -0.019
local terms energy: -136.025225
where:
bonds (distance) C4'-P energy: -26.743
bonds (distance) P-C4' energy: -21.765
flat angles C4'-P-C4' energy: -38.003
flat angles P-C4'-P energy: -20.748
tors. eta vs tors. theta energy: -28.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -379.024883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.024883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.024883 (E_RNA)
where:
Base-Base interactions energy: -238.159
where: short stacking energy: -122.712
Base-Backbone interact. energy: -0.036
local terms energy: -140.829861
where:
bonds (distance) C4'-P energy: -29.654
bonds (distance) P-C4' energy: -20.327
flat angles C4'-P-C4' energy: -33.867
flat angles P-C4'-P energy: -24.891
tors. eta vs tors. theta energy: -32.091
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: 2
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -322.936309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.936309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.936309 (E_RNA)
where:
Base-Base interactions energy: -194.095
where: short stacking energy: -102.966
Base-Backbone interact. energy: 0.426
local terms energy: -129.267360
where:
bonds (distance) C4'-P energy: -27.740
bonds (distance) P-C4' energy: -31.672
flat angles C4'-P-C4' energy: -30.276
flat angles P-C4'-P energy: -12.422
tors. eta vs tors. theta energy: -27.158
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: 315
Temperature: 1.250000
Total energy: -339.687774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.687774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.687774 (E_RNA)
where:
Base-Base interactions energy: -213.633
where: short stacking energy: -101.034
Base-Backbone interact. energy: -0.692
local terms energy: -125.362367
where:
bonds (distance) C4'-P energy: -28.773
bonds (distance) P-C4' energy: -28.686
flat angles C4'-P-C4' energy: -29.419
flat angles P-C4'-P energy: -12.873
tors. eta vs tors. theta energy: -25.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -294.358489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.358489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.358489 (E_RNA)
where:
Base-Base interactions energy: -176.357
where: short stacking energy: -85.116
Base-Backbone interact. energy: -0.226
local terms energy: -117.776308
where:
bonds (distance) C4'-P energy: -26.356
bonds (distance) P-C4' energy: -26.946
flat angles C4'-P-C4' energy: -31.474
flat angles P-C4'-P energy: -17.974
tors. eta vs tors. theta energy: -15.026
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: 315
Temperature: 1.350000
Total energy: -174.400965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.400965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.400965 (E_RNA)
where:
Base-Base interactions energy: -60.865
where: short stacking energy: -59.115
Base-Backbone interact. energy: 0.764
local terms energy: -114.299619
where:
bonds (distance) C4'-P energy: -30.331
bonds (distance) P-C4' energy: -33.410
flat angles C4'-P-C4' energy: -30.791
flat angles P-C4'-P energy: -13.318
tors. eta vs tors. theta energy: -6.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -541.030733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.030733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.030733 (E_RNA)
where:
Base-Base interactions energy: -361.552
where: short stacking energy: -160.262
Base-Backbone interact. energy: -0.847
local terms energy: -178.631767
where:
bonds (distance) C4'-P energy: -36.265
bonds (distance) P-C4' energy: -33.856
flat angles C4'-P-C4' energy: -38.733
flat angles P-C4'-P energy: -27.332
tors. eta vs tors. theta energy: -42.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -565.846576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.846576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.846576 (E_RNA)
where:
Base-Base interactions energy: -378.356
where: short stacking energy: -199.113
Base-Backbone interact. energy: -0.063
local terms energy: -187.428045
where:
bonds (distance) C4'-P energy: -28.464
bonds (distance) P-C4' energy: -36.935
flat angles C4'-P-C4' energy: -42.503
flat angles P-C4'-P energy: -24.639
tors. eta vs tors. theta energy: -54.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -498.902134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.902134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.902134 (E_RNA)
where:
Base-Base interactions energy: -351.579
where: short stacking energy: -155.727
Base-Backbone interact. energy: -0.782
local terms energy: -146.541880
where:
bonds (distance) C4'-P energy: -27.915
bonds (distance) P-C4' energy: -27.958
flat angles C4'-P-C4' energy: -28.588
flat angles P-C4'-P energy: -27.047
tors. eta vs tors. theta energy: -35.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -450.655901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.655901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.655901 (E_RNA)
where:
Base-Base interactions energy: -284.640
where: short stacking energy: -148.597
Base-Backbone interact. energy: 0.731
local terms energy: -166.747260
where:
bonds (distance) C4'-P energy: -29.128
bonds (distance) P-C4' energy: -31.946
flat angles C4'-P-C4' energy: -38.042
flat angles P-C4'-P energy: -26.498
tors. eta vs tors. theta energy: -41.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -352.542579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.542579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.542579 (E_RNA)
where:
Base-Base interactions energy: -212.705
where: short stacking energy: -110.553
Base-Backbone interact. energy: -0.833
local terms energy: -139.004506
where:
bonds (distance) C4'-P energy: -32.306
bonds (distance) P-C4' energy: -32.890
flat angles C4'-P-C4' energy: -31.161
flat angles P-C4'-P energy: -21.645
tors. eta vs tors. theta energy: -21.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -393.246765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.246765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.246765 (E_RNA)
where:
Base-Base interactions energy: -251.116
where: short stacking energy: -127.124
Base-Backbone interact. energy: -1.976
local terms energy: -140.154711
where:
bonds (distance) C4'-P energy: -30.662
bonds (distance) P-C4' energy: -27.743
flat angles C4'-P-C4' energy: -32.546
flat angles P-C4'-P energy: -26.128
tors. eta vs tors. theta energy: -23.076
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: 7, replica: 8
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -338.867561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.867561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.867561 (E_RNA)
where:
Base-Base interactions energy: -205.483
where: short stacking energy: -104.237
Base-Backbone interact. energy: -0.340
local terms energy: -133.045298
where:
bonds (distance) C4'-P energy: -26.164
bonds (distance) P-C4' energy: -37.314
flat angles C4'-P-C4' energy: -29.032
flat angles P-C4'-P energy: -16.735
tors. eta vs tors. theta energy: -23.801
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: 2
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -293.990777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.990777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.990777 (E_RNA)
where:
Base-Base interactions energy: -164.114
where: short stacking energy: -81.858
Base-Backbone interact. energy: 0.111
local terms energy: -129.987699
where:
bonds (distance) C4'-P energy: -30.096
bonds (distance) P-C4' energy: -35.475
flat angles C4'-P-C4' energy: -28.499
flat angles P-C4'-P energy: -22.067
tors. eta vs tors. theta energy: -13.851
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: 9, replica: 7
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -257.123821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.123821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.123821 (E_RNA)
where:
Base-Base interactions energy: -144.245
where: short stacking energy: -73.033
Base-Backbone interact. energy: -1.955
local terms energy: -110.923808
where:
bonds (distance) C4'-P energy: -25.151
bonds (distance) P-C4' energy: -36.213
flat angles C4'-P-C4' energy: -25.193
flat angles P-C4'-P energy: -14.762
tors. eta vs tors. theta energy: -9.605
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: 10, replica: 10
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -156.305409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.305409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.305409 (E_RNA)
where:
Base-Base interactions energy: -62.158
where: short stacking energy: -50.554
Base-Backbone interact. energy: 0.401
local terms energy: -94.548736
where:
bonds (distance) C4'-P energy: -19.772
bonds (distance) P-C4' energy: -37.612
flat angles C4'-P-C4' energy: -26.646
flat angles P-C4'-P energy: -16.919
tors. eta vs tors. theta energy: 6.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -549.497919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.497919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.497919 (E_RNA)
where:
Base-Base interactions energy: -372.903
where: short stacking energy: -159.542
Base-Backbone interact. energy: -0.546
local terms energy: -176.049002
where:
bonds (distance) C4'-P energy: -34.193
bonds (distance) P-C4' energy: -33.784
flat angles C4'-P-C4' energy: -37.431
flat angles P-C4'-P energy: -27.694
tors. eta vs tors. theta energy: -42.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -560.647163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.647163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.647163 (E_RNA)
where:
Base-Base interactions energy: -360.904
where: short stacking energy: -188.241
Base-Backbone interact. energy: -0.164
local terms energy: -199.579739
where:
bonds (distance) C4'-P energy: -31.633
bonds (distance) P-C4' energy: -37.212
flat angles C4'-P-C4' energy: -42.712
flat angles P-C4'-P energy: -30.713
tors. eta vs tors. theta energy: -57.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -492.433669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.433669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.433669 (E_RNA)
where:
Base-Base interactions energy: -337.362
where: short stacking energy: -153.971
Base-Backbone interact. energy: -1.058
local terms energy: -154.013349
where:
bonds (distance) C4'-P energy: -32.124
bonds (distance) P-C4' energy: -30.494
flat angles C4'-P-C4' energy: -35.832
flat angles P-C4'-P energy: -18.883
tors. eta vs tors. theta energy: -36.681
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: 3
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -374.875057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.875057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.875057 (E_RNA)
where:
Base-Base interactions energy: -226.777
where: short stacking energy: -122.164
Base-Backbone interact. energy: -0.592
local terms energy: -147.506846
where:
bonds (distance) C4'-P energy: -29.675
bonds (distance) P-C4' energy: -35.367
flat angles C4'-P-C4' energy: -37.584
flat angles P-C4'-P energy: -18.804
tors. eta vs tors. theta energy: -26.078
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: 9
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -442.443105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.443105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.443105 (E_RNA)
where:
Base-Base interactions energy: -291.873
where: short stacking energy: -145.827
Base-Backbone interact. energy: -0.697
local terms energy: -149.873479
where:
bonds (distance) C4'-P energy: -26.022
bonds (distance) P-C4' energy: -37.817
flat angles C4'-P-C4' energy: -37.578
flat angles P-C4'-P energy: -14.935
tors. eta vs tors. theta energy: -33.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -400.890177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.890177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.890177 (E_RNA)
where:
Base-Base interactions energy: -247.967
where: short stacking energy: -131.127
Base-Backbone interact. energy: -1.089
local terms energy: -151.833922
where:
bonds (distance) C4'-P energy: -28.343
bonds (distance) P-C4' energy: -30.833
flat angles C4'-P-C4' energy: -36.625
flat angles P-C4'-P energy: -18.577
tors. eta vs tors. theta energy: -37.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -320.496296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.496296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.496296 (E_RNA)
where:
Base-Base interactions energy: -202.397
where: short stacking energy: -99.769
Base-Backbone interact. energy: 2.946
local terms energy: -121.044824
where:
bonds (distance) C4'-P energy: -30.957
bonds (distance) P-C4' energy: -29.646
flat angles C4'-P-C4' energy: -29.144
flat angles P-C4'-P energy: -17.804
tors. eta vs tors. theta energy: -13.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -287.312963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.312963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.312963 (E_RNA)
where:
Base-Base interactions energy: -175.481
where: short stacking energy: -89.050
Base-Backbone interact. energy: -0.101
local terms energy: -111.730608
where:
bonds (distance) C4'-P energy: -21.579
bonds (distance) P-C4' energy: -34.834
flat angles C4'-P-C4' energy: -24.555
flat angles P-C4'-P energy: -20.513
tors. eta vs tors. theta energy: -10.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -240.151195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.151195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.151195 (E_RNA)
where:
Base-Base interactions energy: -137.231
where: short stacking energy: -85.083
Base-Backbone interact. energy: 1.362
local terms energy: -104.281819
where:
bonds (distance) C4'-P energy: -27.425
bonds (distance) P-C4' energy: -26.190
flat angles C4'-P-C4' energy: -25.151
flat angles P-C4'-P energy: -14.980
tors. eta vs tors. theta energy: -10.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -160.074413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.074413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.074413 (E_RNA)
where:
Base-Base interactions energy: -70.490
where: short stacking energy: -62.016
Base-Backbone interact. energy: -2.109
local terms energy: -87.475361
where:
bonds (distance) C4'-P energy: -26.767
bonds (distance) P-C4' energy: -20.698
flat angles C4'-P-C4' energy: -25.716
flat angles P-C4'-P energy: -14.585
tors. eta vs tors. theta energy: 0.291
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: 6
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -524.608064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.608064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.608064 (E_RNA)
where:
Base-Base interactions energy: -345.637
where: short stacking energy: -148.308
Base-Backbone interact. energy: -1.584
local terms energy: -177.387196
where:
bonds (distance) C4'-P energy: -34.283
bonds (distance) P-C4' energy: -36.158
flat angles C4'-P-C4' energy: -38.278
flat angles P-C4'-P energy: -31.890
tors. eta vs tors. theta energy: -36.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -546.228938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.228938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.228938 (E_RNA)
where:
Base-Base interactions energy: -357.782
where: short stacking energy: -176.435
Base-Backbone interact. energy: -0.167
local terms energy: -188.279863
where:
bonds (distance) C4'-P energy: -35.011
bonds (distance) P-C4' energy: -35.372
flat angles C4'-P-C4' energy: -43.633
flat angles P-C4'-P energy: -21.479
tors. eta vs tors. theta energy: -52.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -476.045251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.045251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.045251 (E_RNA)
where:
Base-Base interactions energy: -302.747
where: short stacking energy: -148.269
Base-Backbone interact. energy: -0.981
local terms energy: -172.318032
where:
bonds (distance) C4'-P energy: -38.031
bonds (distance) P-C4' energy: -38.607
flat angles C4'-P-C4' energy: -35.840
flat angles P-C4'-P energy: -25.360
tors. eta vs tors. theta energy: -34.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -391.953936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.953936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.953936 (E_RNA)
where:
Base-Base interactions energy: -262.850
where: short stacking energy: -121.406
Base-Backbone interact. energy: -1.159
local terms energy: -127.945087
where:
bonds (distance) C4'-P energy: -30.239
bonds (distance) P-C4' energy: -31.014
flat angles C4'-P-C4' energy: -30.917
flat angles P-C4'-P energy: -14.842
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: 5, replica: 9
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -442.900326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.900326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.900326 (E_RNA)
where:
Base-Base interactions energy: -287.981
where: short stacking energy: -138.104
Base-Backbone interact. energy: -0.926
local terms energy: -153.993900
where:
bonds (distance) C4'-P energy: -30.899
bonds (distance) P-C4' energy: -34.574
flat angles C4'-P-C4' energy: -28.408
flat angles P-C4'-P energy: -26.157
tors. eta vs tors. theta energy: -33.955
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: 6, replica: 1
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -401.668790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.668790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.668790 (E_RNA)
where:
Base-Base interactions energy: -256.305
where: short stacking energy: -121.112
Base-Backbone interact. energy: -0.900
local terms energy: -144.463228
where:
bonds (distance) C4'-P energy: -35.695
bonds (distance) P-C4' energy: -30.389
flat angles C4'-P-C4' energy: -32.808
flat angles P-C4'-P energy: -15.327
tors. eta vs tors. theta energy: -30.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -331.358785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.358785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.358785 (E_RNA)
where:
Base-Base interactions energy: -208.884
where: short stacking energy: -107.223
Base-Backbone interact. energy: 1.131
local terms energy: -123.605994
where:
bonds (distance) C4'-P energy: -28.942
bonds (distance) P-C4' energy: -31.460
flat angles C4'-P-C4' energy: -27.614
flat angles P-C4'-P energy: -20.912
tors. eta vs tors. theta energy: -14.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -323.496096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.496096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.496096 (E_RNA)
where:
Base-Base interactions energy: -202.619
where: short stacking energy: -95.035
Base-Backbone interact. energy: -0.302
local terms energy: -120.575785
where:
bonds (distance) C4'-P energy: -28.895
bonds (distance) P-C4' energy: -32.523
flat angles C4'-P-C4' energy: -27.753
flat angles P-C4'-P energy: -13.950
tors. eta vs tors. theta energy: -17.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -260.038489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.038489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.038489 (E_RNA)
where:
Base-Base interactions energy: -150.244
where: short stacking energy: -101.542
Base-Backbone interact. energy: 0.816
local terms energy: -110.610514
where:
bonds (distance) C4'-P energy: -27.649
bonds (distance) P-C4' energy: -16.948
flat angles C4'-P-C4' energy: -31.145
flat angles P-C4'-P energy: -15.067
tors. eta vs tors. theta energy: -19.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -210.951800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.951800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.951800 (E_RNA)
where:
Base-Base interactions energy: -98.792
where: short stacking energy: -55.687
Base-Backbone interact. energy: -0.927
local terms energy: -111.232648
where:
bonds (distance) C4'-P energy: -28.229
bonds (distance) P-C4' energy: -33.210
flat angles C4'-P-C4' energy: -21.951
flat angles P-C4'-P energy: -18.517
tors. eta vs tors. theta energy: -9.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -542.879691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.879691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.879691 (E_RNA)
where:
Base-Base interactions energy: -367.740
where: short stacking energy: -173.961
Base-Backbone interact. energy: -0.541
local terms energy: -174.598443
where:
bonds (distance) C4'-P energy: -33.198
bonds (distance) P-C4' energy: -33.297
flat angles C4'-P-C4' energy: -39.394
flat angles P-C4'-P energy: -26.166
tors. eta vs tors. theta energy: -42.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -569.325722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.325722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.325722 (E_RNA)
where:
Base-Base interactions energy: -377.919
where: short stacking energy: -193.866
Base-Backbone interact. energy: 3.265
local terms energy: -194.672103
where:
bonds (distance) C4'-P energy: -35.388
bonds (distance) P-C4' energy: -35.122
flat angles C4'-P-C4' energy: -38.429
flat angles P-C4'-P energy: -28.600
tors. eta vs tors. theta energy: -57.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -463.870949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.870949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.870949 (E_RNA)
where:
Base-Base interactions energy: -300.310
where: short stacking energy: -142.992
Base-Backbone interact. energy: 0.637
local terms energy: -164.197758
where:
bonds (distance) C4'-P energy: -32.052
bonds (distance) P-C4' energy: -40.534
flat angles C4'-P-C4' energy: -34.979
flat angles P-C4'-P energy: -22.633
tors. eta vs tors. theta energy: -34.000
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: 9
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -451.555519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.555519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.555519 (E_RNA)
where:
Base-Base interactions energy: -289.099
where: short stacking energy: -148.359
Base-Backbone interact. energy: -0.113
local terms energy: -162.343807
where:
bonds (distance) C4'-P energy: -33.855
bonds (distance) P-C4' energy: -34.212
flat angles C4'-P-C4' energy: -36.407
flat angles P-C4'-P energy: -18.959
tors. eta vs tors. theta energy: -38.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -389.738474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.738474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.738474 (E_RNA)
where:
Base-Base interactions energy: -248.485
where: short stacking energy: -118.926
Base-Backbone interact. energy: 0.450
local terms energy: -141.703364
where:
bonds (distance) C4'-P energy: -38.318
bonds (distance) P-C4' energy: -35.215
flat angles C4'-P-C4' energy: -29.065
flat angles P-C4'-P energy: -16.381
tors. eta vs tors. theta energy: -22.724
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: 6, replica: 2
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -358.103626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.103626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.103626 (E_RNA)
where:
Base-Base interactions energy: -216.400
where: short stacking energy: -100.353
Base-Backbone interact. energy: -1.474
local terms energy: -140.229669
where:
bonds (distance) C4'-P energy: -32.296
bonds (distance) P-C4' energy: -34.375
flat angles C4'-P-C4' energy: -32.784
flat angles P-C4'-P energy: -19.581
tors. eta vs tors. theta energy: -21.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -397.628112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.628112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.628112 (E_RNA)
where:
Base-Base interactions energy: -265.374
where: short stacking energy: -121.264
Base-Backbone interact. energy: -1.891
local terms energy: -130.363137
where:
bonds (distance) C4'-P energy: -24.152
bonds (distance) P-C4' energy: -29.709
flat angles C4'-P-C4' energy: -27.672
flat angles P-C4'-P energy: -19.132
tors. eta vs tors. theta energy: -29.698
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: 8
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -325.240928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.240928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.240928 (E_RNA)
where:
Base-Base interactions energy: -197.658
where: short stacking energy: -100.968
Base-Backbone interact. energy: 0.319
local terms energy: -127.901699
where:
bonds (distance) C4'-P energy: -26.636
bonds (distance) P-C4' energy: -27.730
flat angles C4'-P-C4' energy: -29.960
flat angles P-C4'-P energy: -20.540
tors. eta vs tors. theta energy: -23.035
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: 7
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -251.271829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.271829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.271829 (E_RNA)
where:
Base-Base interactions energy: -135.525
where: short stacking energy: -82.490
Base-Backbone interact. energy: -1.003
local terms energy: -114.743584
where:
bonds (distance) C4'-P energy: -26.712
bonds (distance) P-C4' energy: -30.884
flat angles C4'-P-C4' energy: -29.858
flat angles P-C4'-P energy: -19.014
tors. eta vs tors. theta energy: -8.276
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: 10
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -223.461285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.461285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.461285 (E_RNA)
where:
Base-Base interactions energy: -113.844
where: short stacking energy: -64.773
Base-Backbone interact. energy: -0.719
local terms energy: -108.897653
where:
bonds (distance) C4'-P energy: -34.636
bonds (distance) P-C4' energy: -28.922
flat angles C4'-P-C4' energy: -21.982
flat angles P-C4'-P energy: -14.590
tors. eta vs tors. theta energy: -8.768
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: 5
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -572.566962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.566962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.566962 (E_RNA)
where:
Base-Base interactions energy: -374.069
where: short stacking energy: -192.903
Base-Backbone interact. energy: -0.529
local terms energy: -197.968809
where:
bonds (distance) C4'-P energy: -35.988
bonds (distance) P-C4' energy: -34.813
flat angles C4'-P-C4' energy: -38.378
flat angles P-C4'-P energy: -32.438
tors. eta vs tors. theta energy: -56.352
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: 2, replica: 6
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -522.437318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.437318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.437318 (E_RNA)
where:
Base-Base interactions energy: -343.613
where: short stacking energy: -156.277
Base-Backbone interact. energy: -0.710
local terms energy: -178.114960
where:
bonds (distance) C4'-P energy: -35.296
bonds (distance) P-C4' energy: -37.541
flat angles C4'-P-C4' energy: -36.808
flat angles P-C4'-P energy: -29.217
tors. eta vs tors. theta energy: -39.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -473.608866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.608866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.608866 (E_RNA)
where:
Base-Base interactions energy: -301.193
where: short stacking energy: -139.044
Base-Backbone interact. energy: 0.355
local terms energy: -172.771410
where:
bonds (distance) C4'-P energy: -29.150
bonds (distance) P-C4' energy: -39.502
flat angles C4'-P-C4' energy: -35.603
flat angles P-C4'-P energy: -26.217
tors. eta vs tors. theta energy: -42.299
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: 4, replica: 9
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -444.104392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.104392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.104392 (E_RNA)
where:
Base-Base interactions energy: -297.071
where: short stacking energy: -149.763
Base-Backbone interact. energy: -0.458
local terms energy: -146.575625
where:
bonds (distance) C4'-P energy: -31.173
bonds (distance) P-C4' energy: -31.496
flat angles C4'-P-C4' energy: -28.594
flat angles P-C4'-P energy: -20.201
tors. eta vs tors. theta energy: -35.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -403.492724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.492724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.492724 (E_RNA)
where:
Base-Base interactions energy: -252.994
where: short stacking energy: -129.208
Base-Backbone interact. energy: -0.526
local terms energy: -149.973065
where:
bonds (distance) C4'-P energy: -30.060
bonds (distance) P-C4' energy: -38.394
flat angles C4'-P-C4' energy: -32.121
flat angles P-C4'-P energy: -20.367
tors. eta vs tors. theta energy: -29.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -367.353964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.353964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.353964 (E_RNA)
where:
Base-Base interactions energy: -232.543
where: short stacking energy: -111.123
Base-Backbone interact. energy: 0.476
local terms energy: -135.287075
where:
bonds (distance) C4'-P energy: -20.556
bonds (distance) P-C4' energy: -33.810
flat angles C4'-P-C4' energy: -40.975
flat angles P-C4'-P energy: -17.802
tors. eta vs tors. theta energy: -22.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -341.091081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.091081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.091081 (E_RNA)
where:
Base-Base interactions energy: -211.660
where: short stacking energy: -114.220
Base-Backbone interact. energy: -0.417
local terms energy: -129.013898
where:
bonds (distance) C4'-P energy: -31.615
bonds (distance) P-C4' energy: -24.837
flat angles C4'-P-C4' energy: -32.329
flat angles P-C4'-P energy: -18.665
tors. eta vs tors. theta energy: -21.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -353.648855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.648855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.648855 (E_RNA)
where:
Base-Base interactions energy: -199.572
where: short stacking energy: -102.467
Base-Backbone interact. energy: 0.319
local terms energy: -154.395840
where:
bonds (distance) C4'-P energy: -32.829
bonds (distance) P-C4' energy: -29.546
flat angles C4'-P-C4' energy: -38.920
flat angles P-C4'-P energy: -29.898
tors. eta vs tors. theta energy: -23.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -247.594421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.594421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.594421 (E_RNA)
where:
Base-Base interactions energy: -124.532
where: short stacking energy: -71.267
Base-Backbone interact. energy: -0.106
local terms energy: -122.956798
where:
bonds (distance) C4'-P energy: -26.272
bonds (distance) P-C4' energy: -37.780
flat angles C4'-P-C4' energy: -28.036
flat angles P-C4'-P energy: -19.740
tors. eta vs tors. theta energy: -11.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -211.413233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.413233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.413233 (E_RNA)
where:
Base-Base interactions energy: -111.558
where: short stacking energy: -66.562
Base-Backbone interact. energy: -0.330
local terms energy: -99.525593
where:
bonds (distance) C4'-P energy: -25.902
bonds (distance) P-C4' energy: -31.226
flat angles C4'-P-C4' energy: -27.868
flat angles P-C4'-P energy: -12.804
tors. eta vs tors. theta energy: -1.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -562.043369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.043369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.043369 (E_RNA)
where:
Base-Base interactions energy: -374.594
where: short stacking energy: -188.271
Base-Backbone interact. energy: -0.215
local terms energy: -187.234270
where:
bonds (distance) C4'-P energy: -39.746
bonds (distance) P-C4' energy: -30.525
flat angles C4'-P-C4' energy: -39.228
flat angles P-C4'-P energy: -26.961
tors. eta vs tors. theta energy: -50.774
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: 6
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -525.045976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.045976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.045976 (E_RNA)
where:
Base-Base interactions energy: -356.394
where: short stacking energy: -171.150
Base-Backbone interact. energy: 0.087
local terms energy: -168.738049
where:
bonds (distance) C4'-P energy: -33.377
bonds (distance) P-C4' energy: -32.564
flat angles C4'-P-C4' energy: -28.637
flat angles P-C4'-P energy: -26.594
tors. eta vs tors. theta energy: -47.566
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: 4
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -470.287835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.287835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.287835 (E_RNA)
where:
Base-Base interactions energy: -310.496
where: short stacking energy: -138.062
Base-Backbone interact. energy: -0.470
local terms energy: -159.321167
where:
bonds (distance) C4'-P energy: -30.985
bonds (distance) P-C4' energy: -28.778
flat angles C4'-P-C4' energy: -39.562
flat angles P-C4'-P energy: -29.820
tors. eta vs tors. theta energy: -30.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -390.416501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.416501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.416501 (E_RNA)
where:
Base-Base interactions energy: -239.003
where: short stacking energy: -119.412
Base-Backbone interact. energy: -0.328
local terms energy: -151.085840
where:
bonds (distance) C4'-P energy: -29.796
bonds (distance) P-C4' energy: -32.424
flat angles C4'-P-C4' energy: -37.549
flat angles P-C4'-P energy: -21.916
tors. eta vs tors. theta energy: -29.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -414.123301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.123301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.123301 (E_RNA)
where:
Base-Base interactions energy: -266.324
where: short stacking energy: -119.880
Base-Backbone interact. energy: -0.269
local terms energy: -147.529955
where:
bonds (distance) C4'-P energy: -30.740
bonds (distance) P-C4' energy: -32.872
flat angles C4'-P-C4' energy: -38.387
flat angles P-C4'-P energy: -21.780
tors. eta vs tors. theta energy: -23.751
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: 1
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -353.610115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.610115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.610115 (E_RNA)
where:
Base-Base interactions energy: -213.025
where: short stacking energy: -97.472
Base-Backbone interact. energy: -0.398
local terms energy: -140.186867
where:
bonds (distance) C4'-P energy: -30.345
bonds (distance) P-C4' energy: -33.317
flat angles C4'-P-C4' energy: -30.085
flat angles P-C4'-P energy: -20.396
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: 7, replica: 3
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -341.874318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.874318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.874318 (E_RNA)
where:
Base-Base interactions energy: -218.087
where: short stacking energy: -104.814
Base-Backbone interact. energy: -0.601
local terms energy: -123.185509
where:
bonds (distance) C4'-P energy: -31.749
bonds (distance) P-C4' energy: -23.179
flat angles C4'-P-C4' energy: -26.577
flat angles P-C4'-P energy: -20.478
tors. eta vs tors. theta energy: -21.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -367.778941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.778941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.778941 (E_RNA)
where:
Base-Base interactions energy: -221.739
where: short stacking energy: -102.471
Base-Backbone interact. energy: 1.012
local terms energy: -147.051461
where:
bonds (distance) C4'-P energy: -34.637
bonds (distance) P-C4' energy: -32.430
flat angles C4'-P-C4' energy: -36.090
flat angles P-C4'-P energy: -17.666
tors. eta vs tors. theta energy: -26.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -249.817872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.817872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.817872 (E_RNA)
where:
Base-Base interactions energy: -124.938
where: short stacking energy: -76.451
Base-Backbone interact. energy: -0.450
local terms energy: -124.430204
where:
bonds (distance) C4'-P energy: -37.295
bonds (distance) P-C4' energy: -29.384
flat angles C4'-P-C4' energy: -32.765
flat angles P-C4'-P energy: -14.174
tors. eta vs tors. theta energy: -10.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -166.556346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.556346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.556346 (E_RNA)
where:
Base-Base interactions energy: -72.096
where: short stacking energy: -70.349
Base-Backbone interact. energy: -1.074
local terms energy: -93.386296
where:
bonds (distance) C4'-P energy: -30.504
bonds (distance) P-C4' energy: -27.486
flat angles C4'-P-C4' energy: -14.563
flat angles P-C4'-P energy: -19.914
tors. eta vs tors. theta energy: -0.919
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: 5
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -563.361547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.361547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.361547 (E_RNA)
where:
Base-Base interactions energy: -369.835
where: short stacking energy: -178.011
Base-Backbone interact. energy: -0.684
local terms energy: -192.842900
where:
bonds (distance) C4'-P energy: -40.535
bonds (distance) P-C4' energy: -37.904
flat angles C4'-P-C4' energy: -37.510
flat angles P-C4'-P energy: -29.082
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: 6
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -526.228290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.228290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.228290 (E_RNA)
where:
Base-Base interactions energy: -365.216
where: short stacking energy: -175.079
Base-Backbone interact. energy: -0.425
local terms energy: -160.587757
where:
bonds (distance) C4'-P energy: -29.686
bonds (distance) P-C4' energy: -38.688
flat angles C4'-P-C4' energy: -36.138
flat angles P-C4'-P energy: -20.305
tors. eta vs tors. theta energy: -35.769
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: 4
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -478.177609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.177609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.177609 (E_RNA)
where:
Base-Base interactions energy: -316.544
where: short stacking energy: -139.761
Base-Backbone interact. energy: 0.720
local terms energy: -162.353987
where:
bonds (distance) C4'-P energy: -28.578
bonds (distance) P-C4' energy: -36.944
flat angles C4'-P-C4' energy: -38.624
flat angles P-C4'-P energy: -25.850
tors. eta vs tors. theta energy: -32.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -378.980093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.980093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.980093 (E_RNA)
where:
Base-Base interactions energy: -230.961
where: short stacking energy: -125.497
Base-Backbone interact. energy: -0.709
local terms energy: -147.309730
where:
bonds (distance) C4'-P energy: -29.519
bonds (distance) P-C4' energy: -32.265
flat angles C4'-P-C4' energy: -36.186
flat angles P-C4'-P energy: -22.431
tors. eta vs tors. theta energy: -26.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -434.823413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.823413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.823413 (E_RNA)
where:
Base-Base interactions energy: -276.127
where: short stacking energy: -142.377
Base-Backbone interact. energy: -0.566
local terms energy: -158.130511
where:
bonds (distance) C4'-P energy: -33.916
bonds (distance) P-C4' energy: -35.275
flat angles C4'-P-C4' energy: -33.859
flat angles P-C4'-P energy: -20.971
tors. eta vs tors. theta energy: -34.109
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: 6, replica: 1
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -376.838471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.838471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.838471 (E_RNA)
where:
Base-Base interactions energy: -226.561
where: short stacking energy: -118.080
Base-Backbone interact. energy: -0.984
local terms energy: -149.293547
where:
bonds (distance) C4'-P energy: -28.241
bonds (distance) P-C4' energy: -34.811
flat angles C4'-P-C4' energy: -30.655
flat angles P-C4'-P energy: -25.211
tors. eta vs tors. theta energy: -30.375
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: 7, replica: 3
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -363.172344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.172344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.172344 (E_RNA)
where:
Base-Base interactions energy: -229.032
where: short stacking energy: -92.462
Base-Backbone interact. energy: -0.630
local terms energy: -133.510201
where:
bonds (distance) C4'-P energy: -31.888
bonds (distance) P-C4' energy: -34.523
flat angles C4'-P-C4' energy: -27.007
flat angles P-C4'-P energy: -21.589
tors. eta vs tors. theta energy: -18.504
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: 8
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -322.110335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.110335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.110335 (E_RNA)
where:
Base-Base interactions energy: -205.087
where: short stacking energy: -108.904
Base-Backbone interact. energy: 0.407
local terms energy: -117.430488
where:
bonds (distance) C4'-P energy: -24.147
bonds (distance) P-C4' energy: -27.217
flat angles C4'-P-C4' energy: -26.886
flat angles P-C4'-P energy: -24.555
tors. eta vs tors. theta energy: -14.626
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: 322
Temperature: 1.300000
Total energy: -235.432995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.432995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.432995 (E_RNA)
where:
Base-Base interactions energy: -123.467
where: short stacking energy: -59.886
Base-Backbone interact. energy: -0.558
local terms energy: -111.408172
where:
bonds (distance) C4'-P energy: -25.790
bonds (distance) P-C4' energy: -31.956
flat angles C4'-P-C4' energy: -25.392
flat angles P-C4'-P energy: -26.039
tors. eta vs tors. theta energy: -2.231
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: 7
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -162.461219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.461219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.461219 (E_RNA)
where:
Base-Base interactions energy: -61.334
where: short stacking energy: -57.052
Base-Backbone interact. energy: 0.990
local terms energy: -102.117452
where:
bonds (distance) C4'-P energy: -27.367
bonds (distance) P-C4' energy: -28.086
flat angles C4'-P-C4' energy: -21.692
flat angles P-C4'-P energy: -19.441
tors. eta vs tors. theta energy: -5.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -554.145999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.145999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.145999 (E_RNA)
where:
Base-Base interactions energy: -368.001
where: short stacking energy: -186.522
Base-Backbone interact. energy: -0.080
local terms energy: -186.065026
where:
bonds (distance) C4'-P energy: -34.172
bonds (distance) P-C4' energy: -33.956
flat angles C4'-P-C4' energy: -36.163
flat angles P-C4'-P energy: -28.835
tors. eta vs tors. theta energy: -52.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -528.827181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.827181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.827181 (E_RNA)
where:
Base-Base interactions energy: -355.694
where: short stacking energy: -161.912
Base-Backbone interact. energy: -0.520
local terms energy: -172.613099
where:
bonds (distance) C4'-P energy: -30.531
bonds (distance) P-C4' energy: -35.419
flat angles C4'-P-C4' energy: -37.561
flat angles P-C4'-P energy: -26.317
tors. eta vs tors. theta energy: -42.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -484.781683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.781683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.781683 (E_RNA)
where:
Base-Base interactions energy: -318.403
where: short stacking energy: -146.954
Base-Backbone interact. energy: -0.991
local terms energy: -165.387046
where:
bonds (distance) C4'-P energy: -36.887
bonds (distance) P-C4' energy: -27.668
flat angles C4'-P-C4' energy: -40.622
flat angles P-C4'-P energy: -24.551
tors. eta vs tors. theta energy: -35.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -452.700350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.700350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.700350 (E_RNA)
where:
Base-Base interactions energy: -302.860
where: short stacking energy: -144.379
Base-Backbone interact. energy: -0.571
local terms energy: -149.268804
where:
bonds (distance) C4'-P energy: -32.845
bonds (distance) P-C4' energy: -34.372
flat angles C4'-P-C4' energy: -19.466
flat angles P-C4'-P energy: -23.579
tors. eta vs tors. theta energy: -39.006
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: 2
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -392.364805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.364805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.364805 (E_RNA)
where:
Base-Base interactions energy: -242.757
where: short stacking energy: -131.840
Base-Backbone interact. energy: -0.755
local terms energy: -148.852415
where:
bonds (distance) C4'-P energy: -28.321
bonds (distance) P-C4' energy: -30.233
flat angles C4'-P-C4' energy: -33.742
flat angles P-C4'-P energy: -22.595
tors. eta vs tors. theta energy: -33.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -365.902274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.902274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.902274 (E_RNA)
where:
Base-Base interactions energy: -223.927
where: short stacking energy: -117.486
Base-Backbone interact. energy: 1.892
local terms energy: -143.867164
where:
bonds (distance) C4'-P energy: -32.369
bonds (distance) P-C4' energy: -33.638
flat angles C4'-P-C4' energy: -29.952
flat angles P-C4'-P energy: -20.562
tors. eta vs tors. theta energy: -27.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -351.316900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.316900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.316900 (E_RNA)
where:
Base-Base interactions energy: -220.478
where: short stacking energy: -110.851
Base-Backbone interact. energy: -0.309
local terms energy: -130.529980
where:
bonds (distance) C4'-P energy: -23.659
bonds (distance) P-C4' energy: -21.701
flat angles C4'-P-C4' energy: -38.147
flat angles P-C4'-P energy: -23.166
tors. eta vs tors. theta energy: -23.857
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: 8
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -334.643018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.643018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.643018 (E_RNA)
where:
Base-Base interactions energy: -204.601
where: short stacking energy: -101.312
Base-Backbone interact. energy: -0.167
local terms energy: -129.875343
where:
bonds (distance) C4'-P energy: -25.122
bonds (distance) P-C4' energy: -31.727
flat angles C4'-P-C4' energy: -30.048
flat angles P-C4'-P energy: -20.483
tors. eta vs tors. theta energy: -22.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -255.679272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.679272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.679272 (E_RNA)
where:
Base-Base interactions energy: -135.290
where: short stacking energy: -85.582
Base-Backbone interact. energy: -0.387
local terms energy: -120.001549
where:
bonds (distance) C4'-P energy: -21.801
bonds (distance) P-C4' energy: -29.597
flat angles C4'-P-C4' energy: -34.541
flat angles P-C4'-P energy: -18.396
tors. eta vs tors. theta energy: -15.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -165.396395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.396395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.396395 (E_RNA)
where:
Base-Base interactions energy: -66.680
where: short stacking energy: -53.508
Base-Backbone interact. energy: -0.203
local terms energy: -98.513413
where:
bonds (distance) C4'-P energy: -31.305
bonds (distance) P-C4' energy: -27.583
flat angles C4'-P-C4' energy: -22.530
flat angles P-C4'-P energy: -12.639
tors. eta vs tors. theta energy: -4.456
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: 1, replica: 6
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -545.281847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.281847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.281847 (E_RNA)
where:
Base-Base interactions energy: -366.998
where: short stacking energy: -176.758
Base-Backbone interact. energy: -0.581
local terms energy: -177.703018
where:
bonds (distance) C4'-P energy: -32.928
bonds (distance) P-C4' energy: -28.663
flat angles C4'-P-C4' energy: -38.893
flat angles P-C4'-P energy: -27.524
tors. eta vs tors. theta energy: -49.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -561.990692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.990692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.990692 (E_RNA)
where:
Base-Base interactions energy: -371.055
where: short stacking energy: -189.445
Base-Backbone interact. energy: -0.172
local terms energy: -190.763968
where:
bonds (distance) C4'-P energy: -33.418
bonds (distance) P-C4' energy: -35.212
flat angles C4'-P-C4' energy: -41.674
flat angles P-C4'-P energy: -25.344
tors. eta vs tors. theta energy: -55.115
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: 3, replica: 4
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -485.794548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.794548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.794548 (E_RNA)
where:
Base-Base interactions energy: -327.675
where: short stacking energy: -152.648
Base-Backbone interact. energy: -0.978
local terms energy: -157.141551
where:
bonds (distance) C4'-P energy: -33.047
bonds (distance) P-C4' energy: -35.357
flat angles C4'-P-C4' energy: -32.762
flat angles P-C4'-P energy: -20.940
tors. eta vs tors. theta energy: -35.035
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: 9
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -455.508129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.508129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.508129 (E_RNA)
where:
Base-Base interactions energy: -296.416
where: short stacking energy: -157.011
Base-Backbone interact. energy: -1.066
local terms energy: -158.026297
where:
bonds (distance) C4'-P energy: -32.098
bonds (distance) P-C4' energy: -30.038
flat angles C4'-P-C4' energy: -33.467
flat angles P-C4'-P energy: -20.384
tors. eta vs tors. theta energy: -42.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -385.198842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.198842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.198842 (E_RNA)
where:
Base-Base interactions energy: -240.801
where: short stacking energy: -128.874
Base-Backbone interact. energy: -0.070
local terms energy: -144.327668
where:
bonds (distance) C4'-P energy: -20.483
bonds (distance) P-C4' energy: -38.072
flat angles C4'-P-C4' energy: -40.012
flat angles P-C4'-P energy: -22.715
tors. eta vs tors. theta energy: -23.045
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: 2
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -373.966513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.966513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.966513 (E_RNA)
where:
Base-Base interactions energy: -232.620
where: short stacking energy: -120.904
Base-Backbone interact. energy: -0.194
local terms energy: -141.152780
where:
bonds (distance) C4'-P energy: -31.943
bonds (distance) P-C4' energy: -27.970
flat angles C4'-P-C4' energy: -30.375
flat angles P-C4'-P energy: -21.447
tors. eta vs tors. theta energy: -29.417
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: 8
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -356.562854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.562854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.562854 (E_RNA)
where:
Base-Base interactions energy: -220.198
where: short stacking energy: -110.252
Base-Backbone interact. energy: 1.742
local terms energy: -138.107005
where:
bonds (distance) C4'-P energy: -23.402
bonds (distance) P-C4' energy: -36.989
flat angles C4'-P-C4' energy: -39.115
flat angles P-C4'-P energy: -19.612
tors. eta vs tors. theta energy: -18.990
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: 8, replica: 3
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -306.199882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.199882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.199882 (E_RNA)
where:
Base-Base interactions energy: -188.130
where: short stacking energy: -98.234
Base-Backbone interact. energy: 0.510
local terms energy: -118.580326
where:
bonds (distance) C4'-P energy: -23.946
bonds (distance) P-C4' energy: -26.138
flat angles C4'-P-C4' energy: -30.163
flat angles P-C4'-P energy: -23.317
tors. eta vs tors. theta energy: -15.017
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: 324
Temperature: 1.300000
Total energy: -227.525220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.525220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.525220 (E_RNA)
where:
Base-Base interactions energy: -123.578
where: short stacking energy: -63.096
Base-Backbone interact. energy: -0.499
local terms energy: -103.448369
where:
bonds (distance) C4'-P energy: -28.879
bonds (distance) P-C4' energy: -29.024
flat angles C4'-P-C4' energy: -22.256
flat angles P-C4'-P energy: -19.835
tors. eta vs tors. theta energy: -3.454
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: 7
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -162.518629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.518629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.518629 (E_RNA)
where:
Base-Base interactions energy: -62.404
where: short stacking energy: -55.759
Base-Backbone interact. energy: 0.774
local terms energy: -100.889162
where:
bonds (distance) C4'-P energy: -26.585
bonds (distance) P-C4' energy: -28.796
flat angles C4'-P-C4' energy: -33.267
flat angles P-C4'-P energy: -9.533
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: 6
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -554.526823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.526823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.526823 (E_RNA)
where:
Base-Base interactions energy: -378.508
where: short stacking energy: -169.579
Base-Backbone interact. energy: 1.360
local terms energy: -177.378742
where:
bonds (distance) C4'-P energy: -35.107
bonds (distance) P-C4' energy: -32.670
flat angles C4'-P-C4' energy: -42.749
flat angles P-C4'-P energy: -28.619
tors. eta vs tors. theta energy: -38.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -546.545048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.545048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.545048 (E_RNA)
where:
Base-Base interactions energy: -354.673
where: short stacking energy: -177.801
Base-Backbone interact. energy: -0.381
local terms energy: -191.490126
where:
bonds (distance) C4'-P energy: -35.596
bonds (distance) P-C4' energy: -38.910
flat angles C4'-P-C4' energy: -36.338
flat angles P-C4'-P energy: -29.375
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: 4
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -488.418189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.418189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.418189 (E_RNA)
where:
Base-Base interactions energy: -312.943
where: short stacking energy: -159.322
Base-Backbone interact. energy: -0.563
local terms energy: -174.911881
where:
bonds (distance) C4'-P energy: -35.567
bonds (distance) P-C4' energy: -31.625
flat angles C4'-P-C4' energy: -35.739
flat angles P-C4'-P energy: -29.097
tors. eta vs tors. theta energy: -42.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -419.999623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.999623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.999623 (E_RNA)
where:
Base-Base interactions energy: -264.666
where: short stacking energy: -146.257
Base-Backbone interact. energy: -0.608
local terms energy: -154.725813
where:
bonds (distance) C4'-P energy: -34.724
bonds (distance) P-C4' energy: -27.613
flat angles C4'-P-C4' energy: -34.163
flat angles P-C4'-P energy: -19.857
tors. eta vs tors. theta energy: -38.369
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: 9
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -419.559799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.559799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.559799 (E_RNA)
where:
Base-Base interactions energy: -267.434
where: short stacking energy: -135.702
Base-Backbone interact. energy: -0.502
local terms energy: -151.623110
where:
bonds (distance) C4'-P energy: -30.100
bonds (distance) P-C4' energy: -30.605
flat angles C4'-P-C4' energy: -35.142
flat angles P-C4'-P energy: -24.652
tors. eta vs tors. theta energy: -31.125
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: 325
Temperature: 1.150000
Total energy: -372.185725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.185725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.185725 (E_RNA)
where:
Base-Base interactions energy: -226.988
where: short stacking energy: -108.525
Base-Backbone interact. energy: -1.441
local terms energy: -143.756953
where:
bonds (distance) C4'-P energy: -29.989
bonds (distance) P-C4' energy: -27.820
flat angles C4'-P-C4' energy: -40.028
flat angles P-C4'-P energy: -16.531
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: 7, replica: 2
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -329.625874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.625874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.625874 (E_RNA)
where:
Base-Base interactions energy: -206.136
where: short stacking energy: -107.001
Base-Backbone interact. energy: 2.676
local terms energy: -126.165793
where:
bonds (distance) C4'-P energy: -24.570
bonds (distance) P-C4' energy: -37.079
flat angles C4'-P-C4' energy: -27.491
flat angles P-C4'-P energy: -18.639
tors. eta vs tors. theta energy: -18.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -331.857080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.857080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.857080 (E_RNA)
where:
Base-Base interactions energy: -192.532
where: short stacking energy: -96.795
Base-Backbone interact. energy: 0.093
local terms energy: -139.417990
where:
bonds (distance) C4'-P energy: -31.395
bonds (distance) P-C4' energy: -27.386
flat angles C4'-P-C4' energy: -34.596
flat angles P-C4'-P energy: -26.844
tors. eta vs tors. theta energy: -19.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -263.204384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.204384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.204384 (E_RNA)
where:
Base-Base interactions energy: -159.531
where: short stacking energy: -88.752
Base-Backbone interact. energy: -0.569
local terms energy: -103.104689
where:
bonds (distance) C4'-P energy: -29.281
bonds (distance) P-C4' energy: -32.259
flat angles C4'-P-C4' energy: -23.239
flat angles P-C4'-P energy: -4.691
tors. eta vs tors. theta energy: -13.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -190.765295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.765295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.765295 (E_RNA)
where:
Base-Base interactions energy: -88.811
where: short stacking energy: -63.918
Base-Backbone interact. energy: 0.803
local terms energy: -102.756556
where:
bonds (distance) C4'-P energy: -26.704
bonds (distance) P-C4' energy: -35.808
flat angles C4'-P-C4' energy: -17.462
flat angles P-C4'-P energy: -18.639
tors. eta vs tors. theta energy: -4.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -579.545041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.545041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.545041 (E_RNA)
where:
Base-Base interactions energy: -377.724
where: short stacking energy: -198.215
Base-Backbone interact. energy: -0.652
local terms energy: -201.168841
where:
bonds (distance) C4'-P energy: -38.008
bonds (distance) P-C4' energy: -39.511
flat angles C4'-P-C4' energy: -39.302
flat angles P-C4'-P energy: -29.674
tors. eta vs tors. theta energy: -54.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -550.185448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.185448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.185448 (E_RNA)
where:
Base-Base interactions energy: -373.561
where: short stacking energy: -177.031
Base-Backbone interact. energy: -0.646
local terms energy: -175.978225
where:
bonds (distance) C4'-P energy: -34.436
bonds (distance) P-C4' energy: -33.349
flat angles C4'-P-C4' energy: -36.713
flat angles P-C4'-P energy: -24.854
tors. eta vs tors. theta energy: -46.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -487.130575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.130575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.130575 (E_RNA)
where:
Base-Base interactions energy: -323.302
where: short stacking energy: -161.368
Base-Backbone interact. energy: -0.698
local terms energy: -163.130510
where:
bonds (distance) C4'-P energy: -29.869
bonds (distance) P-C4' energy: -34.842
flat angles C4'-P-C4' energy: -29.943
flat angles P-C4'-P energy: -27.331
tors. eta vs tors. theta energy: -41.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -406.254894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.254894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.254894 (E_RNA)
where:
Base-Base interactions energy: -246.549
where: short stacking energy: -120.177
Base-Backbone interact. energy: -0.568
local terms energy: -159.137877
where:
bonds (distance) C4'-P energy: -31.116
bonds (distance) P-C4' energy: -36.152
flat angles C4'-P-C4' energy: -38.815
flat angles P-C4'-P energy: -24.188
tors. eta vs tors. theta energy: -28.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -402.366245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.366245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.366245 (E_RNA)
where:
Base-Base interactions energy: -247.327
where: short stacking energy: -126.083
Base-Backbone interact. energy: -0.270
local terms energy: -154.769343
where:
bonds (distance) C4'-P energy: -33.652
bonds (distance) P-C4' energy: -35.738
flat angles C4'-P-C4' energy: -30.878
flat angles P-C4'-P energy: -25.253
tors. eta vs tors. theta energy: -29.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -368.072926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.072926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.072926 (E_RNA)
where:
Base-Base interactions energy: -222.118
where: short stacking energy: -112.896
Base-Backbone interact. energy: -0.547
local terms energy: -145.408768
where:
bonds (distance) C4'-P energy: -25.886
bonds (distance) P-C4' energy: -37.388
flat angles C4'-P-C4' energy: -36.897
flat angles P-C4'-P energy: -25.378
tors. eta vs tors. theta energy: -19.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -331.525158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.525158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.525158 (E_RNA)
where:
Base-Base interactions energy: -191.758
where: short stacking energy: -96.749
Base-Backbone interact. energy: -0.620
local terms energy: -139.146752
where:
bonds (distance) C4'-P energy: -29.369
bonds (distance) P-C4' energy: -34.578
flat angles C4'-P-C4' energy: -32.551
flat angles P-C4'-P energy: -19.154
tors. eta vs tors. theta energy: -23.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -316.961742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.961742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.961742 (E_RNA)
where:
Base-Base interactions energy: -186.821
where: short stacking energy: -91.193
Base-Backbone interact. energy: -0.141
local terms energy: -129.999564
where:
bonds (distance) C4'-P energy: -30.553
bonds (distance) P-C4' energy: -33.861
flat angles C4'-P-C4' energy: -35.021
flat angles P-C4'-P energy: -13.644
tors. eta vs tors. theta energy: -16.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -278.910471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.910471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.910471 (E_RNA)
where:
Base-Base interactions energy: -150.805
where: short stacking energy: -93.687
Base-Backbone interact. energy: -0.367
local terms energy: -127.738305
where:
bonds (distance) C4'-P energy: -36.357
bonds (distance) P-C4' energy: -26.654
flat angles C4'-P-C4' energy: -27.234
flat angles P-C4'-P energy: -18.785
tors. eta vs tors. theta energy: -18.708
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: 10, replica: 7
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -163.417606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.417606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.417606 (E_RNA)
where:
Base-Base interactions energy: -70.411
where: short stacking energy: -51.856
Base-Backbone interact. energy: 0.130
local terms energy: -93.135845
where:
bonds (distance) C4'-P energy: -24.272
bonds (distance) P-C4' energy: -30.540
flat angles C4'-P-C4' energy: -32.821
flat angles P-C4'-P energy: -8.127
tors. eta vs tors. theta energy: 2.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -570.696286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.696286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.696286 (E_RNA)
where:
Base-Base interactions energy: -383.340
where: short stacking energy: -196.665
Base-Backbone interact. energy: -0.165
local terms energy: -187.191325
where:
bonds (distance) C4'-P energy: -33.596
bonds (distance) P-C4' energy: -31.936
flat angles C4'-P-C4' energy: -38.162
flat angles P-C4'-P energy: -27.922
tors. eta vs tors. theta energy: -55.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -525.915426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.915426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.915426 (E_RNA)
where:
Base-Base interactions energy: -350.620
where: short stacking energy: -156.685
Base-Backbone interact. energy: -0.540
local terms energy: -174.754856
where:
bonds (distance) C4'-P energy: -32.407
bonds (distance) P-C4' energy: -40.137
flat angles C4'-P-C4' energy: -32.824
flat angles P-C4'-P energy: -25.785
tors. eta vs tors. theta energy: -43.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -481.435642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.435642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.435642 (E_RNA)
where:
Base-Base interactions energy: -321.269
where: short stacking energy: -145.705
Base-Backbone interact. energy: 0.357
local terms energy: -160.523521
where:
bonds (distance) C4'-P energy: -29.984
bonds (distance) P-C4' energy: -35.423
flat angles C4'-P-C4' energy: -35.724
flat angles P-C4'-P energy: -26.651
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: 4, replica: 9
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -432.944002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.944002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.944002 (E_RNA)
where:
Base-Base interactions energy: -261.495
where: short stacking energy: -141.651
Base-Backbone interact. energy: 0.387
local terms energy: -171.835881
where:
bonds (distance) C4'-P energy: -33.375
bonds (distance) P-C4' energy: -33.459
flat angles C4'-P-C4' energy: -38.362
flat angles P-C4'-P energy: -22.758
tors. eta vs tors. theta energy: -43.882
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: 1
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -376.488301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.488301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.488301 (E_RNA)
where:
Base-Base interactions energy: -240.485
where: short stacking energy: -122.598
Base-Backbone interact. energy: -0.553
local terms energy: -135.449968
where:
bonds (distance) C4'-P energy: -30.055
bonds (distance) P-C4' energy: -31.387
flat angles C4'-P-C4' energy: -24.478
flat angles P-C4'-P energy: -16.264
tors. eta vs tors. theta energy: -33.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -355.152267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.152267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.152267 (E_RNA)
where:
Base-Base interactions energy: -207.610
where: short stacking energy: -116.399
Base-Backbone interact. energy: -0.987
local terms energy: -146.555100
where:
bonds (distance) C4'-P energy: -33.050
bonds (distance) P-C4' energy: -27.993
flat angles C4'-P-C4' energy: -33.099
flat angles P-C4'-P energy: -25.464
tors. eta vs tors. theta energy: -26.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -333.483822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.483822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.483822 (E_RNA)
where:
Base-Base interactions energy: -202.648
where: short stacking energy: -87.627
Base-Backbone interact. energy: 2.770
local terms energy: -133.605694
where:
bonds (distance) C4'-P energy: -38.309
bonds (distance) P-C4' energy: -32.462
flat angles C4'-P-C4' energy: -27.898
flat angles P-C4'-P energy: -19.653
tors. eta vs tors. theta energy: -15.284
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: 2
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -322.882547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.882547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.882547 (E_RNA)
where:
Base-Base interactions energy: -205.832
where: short stacking energy: -107.431
Base-Backbone interact. energy: -0.218
local terms energy: -116.832535
where:
bonds (distance) C4'-P energy: -26.571
bonds (distance) P-C4' energy: -27.579
flat angles C4'-P-C4' energy: -25.061
flat angles P-C4'-P energy: -17.905
tors. eta vs tors. theta energy: -19.715
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: 327
Temperature: 1.300000
Total energy: -251.050769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.050769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.050769 (E_RNA)
where:
Base-Base interactions energy: -120.998
where: short stacking energy: -73.186
Base-Backbone interact. energy: -0.355
local terms energy: -129.698675
where:
bonds (distance) C4'-P energy: -31.140
bonds (distance) P-C4' energy: -32.376
flat angles C4'-P-C4' energy: -35.722
flat angles P-C4'-P energy: -16.783
tors. eta vs tors. theta energy: -13.677
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: 10, replica: 7
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -226.432525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.432525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.432525 (E_RNA)
where:
Base-Base interactions energy: -117.433
where: short stacking energy: -61.979
Base-Backbone interact. energy: -0.204
local terms energy: -108.795503
where:
bonds (distance) C4'-P energy: -33.327
bonds (distance) P-C4' energy: -31.901
flat angles C4'-P-C4' energy: -26.849
flat angles P-C4'-P energy: -11.423
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: 5
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -586.424115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.424115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.424115 (E_RNA)
where:
Base-Base interactions energy: -388.920
where: short stacking energy: -198.195
Base-Backbone interact. energy: 0.017
local terms energy: -197.521123
where:
bonds (distance) C4'-P energy: -35.915
bonds (distance) P-C4' energy: -30.396
flat angles C4'-P-C4' energy: -42.260
flat angles P-C4'-P energy: -30.967
tors. eta vs tors. theta energy: -57.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -500.097650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.097650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.097650 (E_RNA)
where:
Base-Base interactions energy: -334.879
where: short stacking energy: -153.440
Base-Backbone interact. energy: -0.502
local terms energy: -164.716327
where:
bonds (distance) C4'-P energy: -34.696
bonds (distance) P-C4' energy: -32.666
flat angles C4'-P-C4' energy: -35.928
flat angles P-C4'-P energy: -23.639
tors. eta vs tors. theta energy: -37.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -482.180555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.180555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.180555 (E_RNA)
where:
Base-Base interactions energy: -321.758
where: short stacking energy: -151.299
Base-Backbone interact. energy: 0.530
local terms energy: -160.952980
where:
bonds (distance) C4'-P energy: -31.728
bonds (distance) P-C4' energy: -34.740
flat angles C4'-P-C4' energy: -34.255
flat angles P-C4'-P energy: -23.397
tors. eta vs tors. theta energy: -36.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -430.921451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.921451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.921451 (E_RNA)
where:
Base-Base interactions energy: -282.614
where: short stacking energy: -137.937
Base-Backbone interact. energy: -0.714
local terms energy: -147.593356
where:
bonds (distance) C4'-P energy: -22.557
bonds (distance) P-C4' energy: -30.934
flat angles C4'-P-C4' energy: -38.338
flat angles P-C4'-P energy: -20.445
tors. eta vs tors. theta energy: -35.320
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: 1
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -379.688982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.688982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.688982 (E_RNA)
where:
Base-Base interactions energy: -246.105
where: short stacking energy: -112.987
Base-Backbone interact. energy: -1.049
local terms energy: -132.535065
where:
bonds (distance) C4'-P energy: -32.490
bonds (distance) P-C4' energy: -28.800
flat angles C4'-P-C4' energy: -28.808
flat angles P-C4'-P energy: -20.095
tors. eta vs tors. theta energy: -22.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -355.695673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.695673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.695673 (E_RNA)
where:
Base-Base interactions energy: -213.298
where: short stacking energy: -107.555
Base-Backbone interact. energy: -0.523
local terms energy: -141.874194
where:
bonds (distance) C4'-P energy: -27.725
bonds (distance) P-C4' energy: -38.363
flat angles C4'-P-C4' energy: -26.485
flat angles P-C4'-P energy: -29.115
tors. eta vs tors. theta energy: -20.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -334.203629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.203629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.203629 (E_RNA)
where:
Base-Base interactions energy: -205.922
where: short stacking energy: -108.627
Base-Backbone interact. energy: 0.289
local terms energy: -128.570867
where:
bonds (distance) C4'-P energy: -29.519
bonds (distance) P-C4' energy: -23.472
flat angles C4'-P-C4' energy: -31.326
flat angles P-C4'-P energy: -21.681
tors. eta vs tors. theta energy: -22.573
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: 3
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -337.921116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.921116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.921116 (E_RNA)
where:
Base-Base interactions energy: -193.844
where: short stacking energy: -103.590
Base-Backbone interact. energy: -0.470
local terms energy: -143.607618
where:
bonds (distance) C4'-P energy: -32.837
bonds (distance) P-C4' energy: -36.007
flat angles C4'-P-C4' energy: -35.584
flat angles P-C4'-P energy: -22.496
tors. eta vs tors. theta energy: -16.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -233.794634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.794634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.794634 (E_RNA)
where:
Base-Base interactions energy: -118.160
where: short stacking energy: -66.980
Base-Backbone interact. energy: 2.722
local terms energy: -118.357074
where:
bonds (distance) C4'-P energy: -33.394
bonds (distance) P-C4' energy: -24.042
flat angles C4'-P-C4' energy: -31.273
flat angles P-C4'-P energy: -21.118
tors. eta vs tors. theta energy: -8.530
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: 328
Temperature: 1.350000
Total energy: -243.191239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.191239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.191239 (E_RNA)
where:
Base-Base interactions energy: -127.784
where: short stacking energy: -73.852
Base-Backbone interact. energy: 0.576
local terms energy: -115.983542
where:
bonds (distance) C4'-P energy: -27.028
bonds (distance) P-C4' energy: -31.683
flat angles C4'-P-C4' energy: -26.055
flat angles P-C4'-P energy: -23.436
tors. eta vs tors. theta energy: -7.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -581.054835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.054835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.054835 (E_RNA)
where:
Base-Base interactions energy: -394.262
where: short stacking energy: -191.713
Base-Backbone interact. energy: -0.686
local terms energy: -186.106453
where:
bonds (distance) C4'-P energy: -31.722
bonds (distance) P-C4' energy: -33.873
flat angles C4'-P-C4' energy: -38.173
flat angles P-C4'-P energy: -23.348
tors. eta vs tors. theta energy: -58.990
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: 6
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -531.819531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.819531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.819531 (E_RNA)
where:
Base-Base interactions energy: -350.276
where: short stacking energy: -152.876
Base-Backbone interact. energy: 1.769
local terms energy: -183.312300
where:
bonds (distance) C4'-P energy: -37.593
bonds (distance) P-C4' energy: -37.495
flat angles C4'-P-C4' energy: -39.542
flat angles P-C4'-P energy: -29.987
tors. eta vs tors. theta energy: -38.695
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: 4
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -471.891438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.891438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.891438 (E_RNA)
where:
Base-Base interactions energy: -312.959
where: short stacking energy: -136.012
Base-Backbone interact. energy: -0.559
local terms energy: -158.373693
where:
bonds (distance) C4'-P energy: -36.208
bonds (distance) P-C4' energy: -29.287
flat angles C4'-P-C4' energy: -38.096
flat angles P-C4'-P energy: -22.835
tors. eta vs tors. theta energy: -31.947
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: 9
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -448.433861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.433861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.433861 (E_RNA)
where:
Base-Base interactions energy: -293.334
where: short stacking energy: -156.170
Base-Backbone interact. energy: -0.359
local terms energy: -154.741767
where:
bonds (distance) C4'-P energy: -25.463
bonds (distance) P-C4' energy: -37.363
flat angles C4'-P-C4' energy: -30.449
flat angles P-C4'-P energy: -22.352
tors. eta vs tors. theta energy: -39.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -390.407091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.407091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.407091 (E_RNA)
where:
Base-Base interactions energy: -241.948
where: short stacking energy: -107.362
Base-Backbone interact. energy: -1.262
local terms energy: -147.196788
where:
bonds (distance) C4'-P energy: -34.458
bonds (distance) P-C4' energy: -28.450
flat angles C4'-P-C4' energy: -32.301
flat angles P-C4'-P energy: -26.536
tors. eta vs tors. theta energy: -25.452
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: 6, replica: 8
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -393.584747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.584747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.584747 (E_RNA)
where:
Base-Base interactions energy: -248.122
where: short stacking energy: -126.679
Base-Backbone interact. energy: -0.838
local terms energy: -144.624116
where:
bonds (distance) C4'-P energy: -33.155
bonds (distance) P-C4' energy: -29.359
flat angles C4'-P-C4' energy: -30.452
flat angles P-C4'-P energy: -22.259
tors. eta vs tors. theta energy: -29.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -331.548297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.548297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.548297 (E_RNA)
where:
Base-Base interactions energy: -208.755
where: short stacking energy: -112.205
Base-Backbone interact. energy: 2.091
local terms energy: -124.884410
where:
bonds (distance) C4'-P energy: -29.505
bonds (distance) P-C4' energy: -35.549
flat angles C4'-P-C4' energy: -30.133
flat angles P-C4'-P energy: -10.847
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: 8, replica: 3
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -313.911598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.911598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.911598 (E_RNA)
where:
Base-Base interactions energy: -186.398
where: short stacking energy: -82.445
Base-Backbone interact. energy: 1.434
local terms energy: -128.947282
where:
bonds (distance) C4'-P energy: -33.651
bonds (distance) P-C4' energy: -26.665
flat angles C4'-P-C4' energy: -30.347
flat angles P-C4'-P energy: -22.067
tors. eta vs tors. theta energy: -16.218
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: 7
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -242.307476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.307476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.307476 (E_RNA)
where:
Base-Base interactions energy: -125.741
where: short stacking energy: -74.894
Base-Backbone interact. energy: -0.545
local terms energy: -116.021324
where:
bonds (distance) C4'-P energy: -22.948
bonds (distance) P-C4' energy: -35.184
flat angles C4'-P-C4' energy: -25.904
flat angles P-C4'-P energy: -20.002
tors. eta vs tors. theta energy: -11.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -229.473054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.473054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.473054 (E_RNA)
where:
Base-Base interactions energy: -120.065
where: short stacking energy: -67.855
Base-Backbone interact. energy: -0.396
local terms energy: -109.011940
where:
bonds (distance) C4'-P energy: -23.698
bonds (distance) P-C4' energy: -28.448
flat angles C4'-P-C4' energy: -32.872
flat angles P-C4'-P energy: -17.434
tors. eta vs tors. theta energy: -6.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -577.727563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.727563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.727563 (E_RNA)
where:
Base-Base interactions energy: -386.619
where: short stacking energy: -197.608
Base-Backbone interact. energy: -0.088
local terms energy: -191.020805
where:
bonds (distance) C4'-P energy: -30.487
bonds (distance) P-C4' energy: -35.431
flat angles C4'-P-C4' energy: -35.417
flat angles P-C4'-P energy: -31.537
tors. eta vs tors. theta energy: -58.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -509.569381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.569381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.569381 (E_RNA)
where:
Base-Base interactions energy: -349.372
where: short stacking energy: -152.523
Base-Backbone interact. energy: -0.750
local terms energy: -159.447363
where:
bonds (distance) C4'-P energy: -34.171
bonds (distance) P-C4' energy: -36.304
flat angles C4'-P-C4' energy: -34.802
flat angles P-C4'-P energy: -21.297
tors. eta vs tors. theta energy: -32.874
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: 4
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -458.171704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.171704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.171704 (E_RNA)
where:
Base-Base interactions energy: -300.415
where: short stacking energy: -141.381
Base-Backbone interact. energy: 0.184
local terms energy: -157.940658
where:
bonds (distance) C4'-P energy: -35.604
bonds (distance) P-C4' energy: -34.780
flat angles C4'-P-C4' energy: -36.296
flat angles P-C4'-P energy: -16.282
tors. eta vs tors. theta energy: -34.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -451.489100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.489100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.489100 (E_RNA)
where:
Base-Base interactions energy: -295.229
where: short stacking energy: -150.700
Base-Backbone interact. energy: 0.260
local terms energy: -156.520744
where:
bonds (distance) C4'-P energy: -31.892
bonds (distance) P-C4' energy: -31.963
flat angles C4'-P-C4' energy: -37.793
flat angles P-C4'-P energy: -17.687
tors. eta vs tors. theta energy: -37.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -440.638295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.638295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.638295 (E_RNA)
where:
Base-Base interactions energy: -286.171
where: short stacking energy: -139.164
Base-Backbone interact. energy: 0.082
local terms energy: -154.549444
where:
bonds (distance) C4'-P energy: -32.502
bonds (distance) P-C4' energy: -31.756
flat angles C4'-P-C4' energy: -28.875
flat angles P-C4'-P energy: -27.254
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: 6, replica: 1
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -359.558391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.558391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.558391 (E_RNA)
where:
Base-Base interactions energy: -217.178
where: short stacking energy: -111.313
Base-Backbone interact. energy: -0.332
local terms energy: -142.048347
where:
bonds (distance) C4'-P energy: -31.141
bonds (distance) P-C4' energy: -25.682
flat angles C4'-P-C4' energy: -33.753
flat angles P-C4'-P energy: -23.542
tors. eta vs tors. theta energy: -27.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -368.828012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.828012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.828012 (E_RNA)
where:
Base-Base interactions energy: -230.081
where: short stacking energy: -121.133
Base-Backbone interact. energy: -1.189
local terms energy: -137.557918
where:
bonds (distance) C4'-P energy: -37.875
bonds (distance) P-C4' energy: -30.535
flat angles C4'-P-C4' energy: -31.075
flat angles P-C4'-P energy: -13.803
tors. eta vs tors. theta energy: -24.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -337.424192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.424192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.424192 (E_RNA)
where:
Base-Base interactions energy: -209.205
where: short stacking energy: -105.339
Base-Backbone interact. energy: -0.326
local terms energy: -127.893013
where:
bonds (distance) C4'-P energy: -24.453
bonds (distance) P-C4' energy: -23.764
flat angles C4'-P-C4' energy: -34.463
flat angles P-C4'-P energy: -18.693
tors. eta vs tors. theta energy: -26.520
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: 10
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -233.634526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.634526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.634526 (E_RNA)
where:
Base-Base interactions energy: -128.562
where: short stacking energy: -65.150
Base-Backbone interact. energy: 0.235
local terms energy: -105.307540
where:
bonds (distance) C4'-P energy: -33.437
bonds (distance) P-C4' energy: -27.735
flat angles C4'-P-C4' energy: -22.508
flat angles P-C4'-P energy: -19.031
tors. eta vs tors. theta energy: -2.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -245.255369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.255369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.255369 (E_RNA)
where:
Base-Base interactions energy: -128.714
where: short stacking energy: -68.382
Base-Backbone interact. energy: -0.511
local terms energy: -116.030091
where:
bonds (distance) C4'-P energy: -26.425
bonds (distance) P-C4' energy: -23.112
flat angles C4'-P-C4' energy: -30.776
flat angles P-C4'-P energy: -23.100
tors. eta vs tors. theta energy: -12.617
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: 1, replica: 5
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -572.123516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.123516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.123516 (E_RNA)
where:
Base-Base interactions energy: -382.468
where: short stacking energy: -188.328
Base-Backbone interact. energy: -0.153
local terms energy: -189.502956
where:
bonds (distance) C4'-P energy: -29.994
bonds (distance) P-C4' energy: -37.126
flat angles C4'-P-C4' energy: -35.340
flat angles P-C4'-P energy: -28.561
tors. eta vs tors. theta energy: -58.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -497.405809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.405809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.405809 (E_RNA)
where:
Base-Base interactions energy: -348.688
where: short stacking energy: -147.112
Base-Backbone interact. energy: -1.961
local terms energy: -146.756798
where:
bonds (distance) C4'-P energy: -33.753
bonds (distance) P-C4' energy: -29.923
flat angles C4'-P-C4' energy: -32.540
flat angles P-C4'-P energy: -20.976
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: 3, replica: 4
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -481.122247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.122247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.122247 (E_RNA)
where:
Base-Base interactions energy: -310.526
where: short stacking energy: -155.140
Base-Backbone interact. energy: -0.249
local terms energy: -170.347650
where:
bonds (distance) C4'-P energy: -34.682
bonds (distance) P-C4' energy: -31.147
flat angles C4'-P-C4' energy: -34.868
flat angles P-C4'-P energy: -24.179
tors. eta vs tors. theta energy: -45.472
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: 331
Temperature: 1.050000
Total energy: -428.872910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.872910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.872910 (E_RNA)
where:
Base-Base interactions energy: -277.145
where: short stacking energy: -146.631
Base-Backbone interact. energy: 0.819
local terms energy: -152.547336
where:
bonds (distance) C4'-P energy: -29.724
bonds (distance) P-C4' energy: -30.753
flat angles C4'-P-C4' energy: -32.987
flat angles P-C4'-P energy: -23.434
tors. eta vs tors. theta energy: -35.650
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: 9
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -435.166683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.166683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.166683 (E_RNA)
where:
Base-Base interactions energy: -287.140
where: short stacking energy: -139.219
Base-Backbone interact. energy: -1.156
local terms energy: -146.870646
where:
bonds (distance) C4'-P energy: -32.507
bonds (distance) P-C4' energy: -32.297
flat angles C4'-P-C4' energy: -34.919
flat angles P-C4'-P energy: -15.792
tors. eta vs tors. theta energy: -31.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -360.416031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.416031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.416031 (E_RNA)
where:
Base-Base interactions energy: -230.051
where: short stacking energy: -128.340
Base-Backbone interact. energy: 1.910
local terms energy: -132.275373
where:
bonds (distance) C4'-P energy: -18.778
bonds (distance) P-C4' energy: -28.559
flat angles C4'-P-C4' energy: -37.921
flat angles P-C4'-P energy: -15.786
tors. eta vs tors. theta energy: -31.230
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: 1
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -336.470703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.470703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.470703 (E_RNA)
where:
Base-Base interactions energy: -205.437
where: short stacking energy: -100.356
Base-Backbone interact. energy: -0.796
local terms energy: -130.237969
where:
bonds (distance) C4'-P energy: -29.973
bonds (distance) P-C4' energy: -37.820
flat angles C4'-P-C4' energy: -24.980
flat angles P-C4'-P energy: -15.820
tors. eta vs tors. theta energy: -21.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -323.271608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.271608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.271608 (E_RNA)
where:
Base-Base interactions energy: -206.057
where: short stacking energy: -105.222
Base-Backbone interact. energy: 1.247
local terms energy: -118.461509
where:
bonds (distance) C4'-P energy: -31.321
bonds (distance) P-C4' energy: -34.329
flat angles C4'-P-C4' energy: -20.303
flat angles P-C4'-P energy: -13.976
tors. eta vs tors. theta energy: -18.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -242.841235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.841235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.841235 (E_RNA)
where:
Base-Base interactions energy: -129.132
where: short stacking energy: -76.554
Base-Backbone interact. energy: -0.696
local terms energy: -113.013889
where:
bonds (distance) C4'-P energy: -29.752
bonds (distance) P-C4' energy: -31.423
flat angles C4'-P-C4' energy: -29.995
flat angles P-C4'-P energy: -16.829
tors. eta vs tors. theta energy: -5.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -223.586700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.586700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.586700 (E_RNA)
where:
Base-Base interactions energy: -115.703
where: short stacking energy: -78.626
Base-Backbone interact. energy: -0.732
local terms energy: -107.151385
where:
bonds (distance) C4'-P energy: -28.577
bonds (distance) P-C4' energy: -33.170
flat angles C4'-P-C4' energy: -24.553
flat angles P-C4'-P energy: -13.979
tors. eta vs tors. theta energy: -6.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -548.388290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.388290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.388290 (E_RNA)
where:
Base-Base interactions energy: -362.118
where: short stacking energy: -192.475
Base-Backbone interact. energy: -0.105
local terms energy: -186.164769
where:
bonds (distance) C4'-P energy: -33.181
bonds (distance) P-C4' energy: -33.012
flat angles C4'-P-C4' energy: -38.423
flat angles P-C4'-P energy: -30.663
tors. eta vs tors. theta energy: -50.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -510.436506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.436506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.436506 (E_RNA)
where:
Base-Base interactions energy: -346.627
where: short stacking energy: -139.356
Base-Backbone interact. energy: -0.590
local terms energy: -163.219017
where:
bonds (distance) C4'-P energy: -32.943
bonds (distance) P-C4' energy: -39.650
flat angles C4'-P-C4' energy: -37.261
flat angles P-C4'-P energy: -23.694
tors. eta vs tors. theta energy: -29.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -479.535822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.535822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.535822 (E_RNA)
where:
Base-Base interactions energy: -319.111
where: short stacking energy: -156.919
Base-Backbone interact. energy: 0.178
local terms energy: -160.602621
where:
bonds (distance) C4'-P energy: -26.573
bonds (distance) P-C4' energy: -31.045
flat angles C4'-P-C4' energy: -36.977
flat angles P-C4'-P energy: -22.327
tors. eta vs tors. theta energy: -43.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -467.468774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.468774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.468774 (E_RNA)
where:
Base-Base interactions energy: -303.026
where: short stacking energy: -157.403
Base-Backbone interact. energy: -0.846
local terms energy: -163.597018
where:
bonds (distance) C4'-P energy: -28.775
bonds (distance) P-C4' energy: -35.329
flat angles C4'-P-C4' energy: -38.571
flat angles P-C4'-P energy: -24.259
tors. eta vs tors. theta energy: -36.663
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: 9
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -393.158410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.158410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.158410 (E_RNA)
where:
Base-Base interactions energy: -259.024
where: short stacking energy: -113.194
Base-Backbone interact. energy: -0.672
local terms energy: -133.462433
where:
bonds (distance) C4'-P energy: -34.897
bonds (distance) P-C4' energy: -22.465
flat angles C4'-P-C4' energy: -33.288
flat angles P-C4'-P energy: -20.466
tors. eta vs tors. theta energy: -22.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -349.033147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.033147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.033147 (E_RNA)
where:
Base-Base interactions energy: -220.852
where: short stacking energy: -91.434
Base-Backbone interact. energy: -0.594
local terms energy: -127.587958
where:
bonds (distance) C4'-P energy: -26.479
bonds (distance) P-C4' energy: -37.803
flat angles C4'-P-C4' energy: -31.785
flat angles P-C4'-P energy: -20.334
tors. eta vs tors. theta energy: -11.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -344.930830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.930830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.930830 (E_RNA)
where:
Base-Base interactions energy: -209.476
where: short stacking energy: -114.832
Base-Backbone interact. energy: 2.001
local terms energy: -137.456307
where:
bonds (distance) C4'-P energy: -28.794
bonds (distance) P-C4' energy: -30.476
flat angles C4'-P-C4' energy: -30.629
flat angles P-C4'-P energy: -27.973
tors. eta vs tors. theta energy: -19.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -302.322305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.322305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.322305 (E_RNA)
where:
Base-Base interactions energy: -174.045
where: short stacking energy: -83.589
Base-Backbone interact. energy: -0.361
local terms energy: -127.917076
where:
bonds (distance) C4'-P energy: -34.176
bonds (distance) P-C4' energy: -35.166
flat angles C4'-P-C4' energy: -29.932
flat angles P-C4'-P energy: -14.893
tors. eta vs tors. theta energy: -13.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -244.211389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.211389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.211389 (E_RNA)
where:
Base-Base interactions energy: -134.600
where: short stacking energy: -67.003
Base-Backbone interact. energy: -0.591
local terms energy: -109.020134
where:
bonds (distance) C4'-P energy: -19.975
bonds (distance) P-C4' energy: -37.653
flat angles C4'-P-C4' energy: -26.069
flat angles P-C4'-P energy: -18.460
tors. eta vs tors. theta energy: -6.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -211.274912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.274912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.274912 (E_RNA)
where:
Base-Base interactions energy: -106.565
where: short stacking energy: -73.782
Base-Backbone interact. energy: -0.396
local terms energy: -104.313805
where:
bonds (distance) C4'-P energy: -22.244
bonds (distance) P-C4' energy: -33.793
flat angles C4'-P-C4' energy: -26.706
flat angles P-C4'-P energy: -14.369
tors. eta vs tors. theta energy: -7.201
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: 5
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -575.773439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.773439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.773439 (E_RNA)
where:
Base-Base interactions energy: -386.899
where: short stacking energy: -193.233
Base-Backbone interact. energy: -0.118
local terms energy: -188.756246
where:
bonds (distance) C4'-P energy: -32.691
bonds (distance) P-C4' energy: -32.737
flat angles C4'-P-C4' energy: -37.119
flat angles P-C4'-P energy: -26.648
tors. eta vs tors. theta energy: -59.560
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: 6
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -513.329142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.329142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.329142 (E_RNA)
where:
Base-Base interactions energy: -351.742
where: short stacking energy: -155.889
Base-Backbone interact. energy: -1.797
local terms energy: -159.789924
where:
bonds (distance) C4'-P energy: -30.223
bonds (distance) P-C4' energy: -40.405
flat angles C4'-P-C4' energy: -28.452
flat angles P-C4'-P energy: -25.429
tors. eta vs tors. theta energy: -35.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -468.719381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.719381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.719381 (E_RNA)
where:
Base-Base interactions energy: -298.922
where: short stacking energy: -149.637
Base-Backbone interact. energy: 4.353
local terms energy: -174.150693
where:
bonds (distance) C4'-P energy: -35.396
bonds (distance) P-C4' energy: -36.976
flat angles C4'-P-C4' energy: -36.819
flat angles P-C4'-P energy: -23.754
tors. eta vs tors. theta energy: -41.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -452.246372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.246372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.246372 (E_RNA)
where:
Base-Base interactions energy: -293.924
where: short stacking energy: -145.309
Base-Backbone interact. energy: -1.079
local terms energy: -157.242853
where:
bonds (distance) C4'-P energy: -32.285
bonds (distance) P-C4' energy: -33.932
flat angles C4'-P-C4' energy: -32.885
flat angles P-C4'-P energy: -26.038
tors. eta vs tors. theta energy: -32.103
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: 9
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -406.494529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.494529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.494529 (E_RNA)
where:
Base-Base interactions energy: -258.449
where: short stacking energy: -127.501
Base-Backbone interact. energy: -0.151
local terms energy: -147.894610
where:
bonds (distance) C4'-P energy: -29.967
bonds (distance) P-C4' energy: -31.664
flat angles C4'-P-C4' energy: -34.250
flat angles P-C4'-P energy: -20.406
tors. eta vs tors. theta energy: -31.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -336.523382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.523382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.523382 (E_RNA)
where:
Base-Base interactions energy: -202.073
where: short stacking energy: -99.105
Base-Backbone interact. energy: -0.539
local terms energy: -133.911478
where:
bonds (distance) C4'-P energy: -33.203
bonds (distance) P-C4' energy: -32.071
flat angles C4'-P-C4' energy: -36.767
flat angles P-C4'-P energy: -14.104
tors. eta vs tors. theta energy: -17.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -339.017281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.017281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.017281 (E_RNA)
where:
Base-Base interactions energy: -196.106
where: short stacking energy: -103.171
Base-Backbone interact. energy: -0.905
local terms energy: -142.006521
where:
bonds (distance) C4'-P energy: -30.152
bonds (distance) P-C4' energy: -32.285
flat angles C4'-P-C4' energy: -34.719
flat angles P-C4'-P energy: -19.100
tors. eta vs tors. theta energy: -25.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -326.640856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.640856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.640856 (E_RNA)
where:
Base-Base interactions energy: -201.194
where: short stacking energy: -99.697
Base-Backbone interact. energy: -0.323
local terms energy: -125.124037
where:
bonds (distance) C4'-P energy: -20.846
bonds (distance) P-C4' energy: -32.785
flat angles C4'-P-C4' energy: -35.896
flat angles P-C4'-P energy: -19.027
tors. eta vs tors. theta energy: -16.571
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: 7
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -248.062252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.062252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.062252 (E_RNA)
where:
Base-Base interactions energy: -131.944
where: short stacking energy: -87.232
Base-Backbone interact. energy: -0.143
local terms energy: -115.975917
where:
bonds (distance) C4'-P energy: -32.867
bonds (distance) P-C4' energy: -23.777
flat angles C4'-P-C4' energy: -33.230
flat angles P-C4'-P energy: -12.882
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: 10
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -219.822321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.822321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.822321 (E_RNA)
where:
Base-Base interactions energy: -107.739
where: short stacking energy: -51.931
Base-Backbone interact. energy: -0.843
local terms energy: -111.239772
where:
bonds (distance) C4'-P energy: -26.206
bonds (distance) P-C4' energy: -34.417
flat angles C4'-P-C4' energy: -34.146
flat angles P-C4'-P energy: -18.844
tors. eta vs tors. theta energy: 2.373
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: 5
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -583.222880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.222880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.222880 (E_RNA)
where:
Base-Base interactions energy: -381.411
where: short stacking energy: -200.334
Base-Backbone interact. energy: -0.019
local terms energy: -201.793720
where:
bonds (distance) C4'-P energy: -37.763
bonds (distance) P-C4' energy: -35.960
flat angles C4'-P-C4' energy: -37.762
flat angles P-C4'-P energy: -31.528
tors. eta vs tors. theta energy: -58.781
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: 6
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -529.669755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.669755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.669755 (E_RNA)
where:
Base-Base interactions energy: -366.294
where: short stacking energy: -154.504
Base-Backbone interact. energy: -0.946
local terms energy: -162.429938
where:
bonds (distance) C4'-P energy: -34.307
bonds (distance) P-C4' energy: -32.556
flat angles C4'-P-C4' energy: -39.339
flat angles P-C4'-P energy: -20.842
tors. eta vs tors. theta energy: -35.386
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: 4
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -495.485992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.485992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.485992 (E_RNA)
where:
Base-Base interactions energy: -332.069
where: short stacking energy: -153.322
Base-Backbone interact. energy: 0.117
local terms energy: -163.533465
where:
bonds (distance) C4'-P energy: -37.141
bonds (distance) P-C4' energy: -33.794
flat angles C4'-P-C4' energy: -32.978
flat angles P-C4'-P energy: -21.145
tors. eta vs tors. theta energy: -38.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -457.673671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.673671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.673671 (E_RNA)
where:
Base-Base interactions energy: -293.857
where: short stacking energy: -144.839
Base-Backbone interact. energy: -0.423
local terms energy: -163.393836
where:
bonds (distance) C4'-P energy: -28.593
bonds (distance) P-C4' energy: -33.370
flat angles C4'-P-C4' energy: -35.607
flat angles P-C4'-P energy: -24.035
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: 5, replica: 9
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -437.047172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.047172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.047172 (E_RNA)
where:
Base-Base interactions energy: -282.164
where: short stacking energy: -138.261
Base-Backbone interact. energy: -0.643
local terms energy: -154.240997
where:
bonds (distance) C4'-P energy: -29.241
bonds (distance) P-C4' energy: -31.679
flat angles C4'-P-C4' energy: -38.100
flat angles P-C4'-P energy: -22.493
tors. eta vs tors. theta energy: -32.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -335.769190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.769190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.769190 (E_RNA)
where:
Base-Base interactions energy: -205.965
where: short stacking energy: -95.409
Base-Backbone interact. energy: -1.899
local terms energy: -127.904786
where:
bonds (distance) C4'-P energy: -30.225
bonds (distance) P-C4' energy: -33.574
flat angles C4'-P-C4' energy: -30.271
flat angles P-C4'-P energy: -15.388
tors. eta vs tors. theta energy: -18.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -350.485894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.485894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.485894 (E_RNA)
where:
Base-Base interactions energy: -208.162
where: short stacking energy: -101.263
Base-Backbone interact. energy: -0.154
local terms energy: -142.169843
where:
bonds (distance) C4'-P energy: -32.445
bonds (distance) P-C4' energy: -29.772
flat angles C4'-P-C4' energy: -33.337
flat angles P-C4'-P energy: -23.859
tors. eta vs tors. theta energy: -22.757
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: 1
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -338.829421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.829421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.829421 (E_RNA)
where:
Base-Base interactions energy: -196.359
where: short stacking energy: -95.161
Base-Backbone interact. energy: -0.240
local terms energy: -142.230277
where:
bonds (distance) C4'-P energy: -27.833
bonds (distance) P-C4' energy: -32.701
flat angles C4'-P-C4' energy: -28.706
flat angles P-C4'-P energy: -28.612
tors. eta vs tors. theta energy: -24.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -248.619257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.619257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.619257 (E_RNA)
where:
Base-Base interactions energy: -135.399
where: short stacking energy: -86.494
Base-Backbone interact. energy: -0.520
local terms energy: -112.699605
where:
bonds (distance) C4'-P energy: -32.427
bonds (distance) P-C4' energy: -27.569
flat angles C4'-P-C4' energy: -26.796
flat angles P-C4'-P energy: -15.612
tors. eta vs tors. theta energy: -10.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -223.877183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.877183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.877183 (E_RNA)
where:
Base-Base interactions energy: -120.749
where: short stacking energy: -74.251
Base-Backbone interact. energy: 1.195
local terms energy: -104.322458
where:
bonds (distance) C4'-P energy: -21.235
bonds (distance) P-C4' energy: -24.046
flat angles C4'-P-C4' energy: -26.614
flat angles P-C4'-P energy: -25.937
tors. eta vs tors. theta energy: -6.491
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: 5
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -571.314874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.314874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.314874 (E_RNA)
where:
Base-Base interactions energy: -364.949
where: short stacking energy: -182.672
Base-Backbone interact. energy: -0.034
local terms energy: -206.331489
where:
bonds (distance) C4'-P energy: -38.791
bonds (distance) P-C4' energy: -39.020
flat angles C4'-P-C4' energy: -37.689
flat angles P-C4'-P energy: -32.408
tors. eta vs tors. theta energy: -58.423
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: 4
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -540.650939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.650939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.650939 (E_RNA)
where:
Base-Base interactions energy: -367.710
where: short stacking energy: -177.658
Base-Backbone interact. energy: 2.185
local terms energy: -175.126582
where:
bonds (distance) C4'-P energy: -29.656
bonds (distance) P-C4' energy: -32.934
flat angles C4'-P-C4' energy: -34.367
flat angles P-C4'-P energy: -29.079
tors. eta vs tors. theta energy: -49.091
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: 6
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -508.939617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.939617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.939617 (E_RNA)
where:
Base-Base interactions energy: -343.016
where: short stacking energy: -137.419
Base-Backbone interact. energy: -1.007
local terms energy: -164.917316
where:
bonds (distance) C4'-P energy: -32.196
bonds (distance) P-C4' energy: -32.144
flat angles C4'-P-C4' energy: -36.300
flat angles P-C4'-P energy: -28.857
tors. eta vs tors. theta energy: -35.420
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: 9
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -476.946867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.946867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.946867 (E_RNA)
where:
Base-Base interactions energy: -296.884
where: short stacking energy: -150.781
Base-Backbone interact. energy: -0.609
local terms energy: -179.454445
where:
bonds (distance) C4'-P energy: -35.583
bonds (distance) P-C4' energy: -33.266
flat angles C4'-P-C4' energy: -37.645
flat angles P-C4'-P energy: -22.188
tors. eta vs tors. theta energy: -50.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -430.111414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.111414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.111414 (E_RNA)
where:
Base-Base interactions energy: -286.804
where: short stacking energy: -119.794
Base-Backbone interact. energy: -1.426
local terms energy: -141.881702
where:
bonds (distance) C4'-P energy: -33.408
bonds (distance) P-C4' energy: -30.974
flat angles C4'-P-C4' energy: -29.229
flat angles P-C4'-P energy: -18.270
tors. eta vs tors. theta energy: -30.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -346.660380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.660380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.660380 (E_RNA)
where:
Base-Base interactions energy: -214.487
where: short stacking energy: -109.799
Base-Backbone interact. energy: 0.466
local terms energy: -132.639560
where:
bonds (distance) C4'-P energy: -34.182
bonds (distance) P-C4' energy: -29.243
flat angles C4'-P-C4' energy: -25.966
flat angles P-C4'-P energy: -22.886
tors. eta vs tors. theta energy: -20.364
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: 2
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -335.035409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.035409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.035409 (E_RNA)
where:
Base-Base interactions energy: -193.276
where: short stacking energy: -100.644
Base-Backbone interact. energy: -0.853
local terms energy: -140.906654
where:
bonds (distance) C4'-P energy: -37.623
bonds (distance) P-C4' energy: -32.761
flat angles C4'-P-C4' energy: -29.699
flat angles P-C4'-P energy: -22.706
tors. eta vs tors. theta energy: -18.117
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: 1
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -331.792673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.792673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.792673 (E_RNA)
where:
Base-Base interactions energy: -204.019
where: short stacking energy: -109.128
Base-Backbone interact. energy: -0.383
local terms energy: -127.391524
where:
bonds (distance) C4'-P energy: -26.744
bonds (distance) P-C4' energy: -28.939
flat angles C4'-P-C4' energy: -33.842
flat angles P-C4'-P energy: -16.515
tors. eta vs tors. theta energy: -21.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -249.297770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.297770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.297770 (E_RNA)
where:
Base-Base interactions energy: -140.855
where: short stacking energy: -62.738
Base-Backbone interact. energy: 3.638
local terms energy: -112.081269
where:
bonds (distance) C4'-P energy: -29.252
bonds (distance) P-C4' energy: -30.506
flat angles C4'-P-C4' energy: -30.625
flat angles P-C4'-P energy: -22.287
tors. eta vs tors. theta energy: 0.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -237.153172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.153172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.153172 (E_RNA)
where:
Base-Base interactions energy: -122.675
where: short stacking energy: -79.436
Base-Backbone interact. energy: 1.359
local terms energy: -115.837351
where:
bonds (distance) C4'-P energy: -23.236
bonds (distance) P-C4' energy: -31.541
flat angles C4'-P-C4' energy: -28.121
flat angles P-C4'-P energy: -14.961
tors. eta vs tors. theta energy: -17.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -569.908951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.908951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.908951 (E_RNA)
where:
Base-Base interactions energy: -378.394
where: short stacking energy: -194.276
Base-Backbone interact. energy: -0.476
local terms energy: -191.039150
where:
bonds (distance) C4'-P energy: -31.886
bonds (distance) P-C4' energy: -36.898
flat angles C4'-P-C4' energy: -41.271
flat angles P-C4'-P energy: -25.018
tors. eta vs tors. theta energy: -55.966
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: 4
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -530.368549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.368549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.368549 (E_RNA)
where:
Base-Base interactions energy: -365.383
where: short stacking energy: -175.741
Base-Backbone interact. energy: -0.412
local terms energy: -164.573539
where:
bonds (distance) C4'-P energy: -28.027
bonds (distance) P-C4' energy: -35.395
flat angles C4'-P-C4' energy: -36.302
flat angles P-C4'-P energy: -19.017
tors. eta vs tors. theta energy: -45.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -497.171747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.171747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.171747 (E_RNA)
where:
Base-Base interactions energy: -319.148
where: short stacking energy: -160.741
Base-Backbone interact. energy: 0.090
local terms energy: -178.113714
where:
bonds (distance) C4'-P energy: -31.902
bonds (distance) P-C4' energy: -33.609
flat angles C4'-P-C4' energy: -39.837
flat angles P-C4'-P energy: -25.145
tors. eta vs tors. theta energy: -47.621
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: 336
Temperature: 1.050000
Total energy: -477.960346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.960346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.960346 (E_RNA)
where:
Base-Base interactions energy: -323.319
where: short stacking energy: -147.296
Base-Backbone interact. energy: -0.627
local terms energy: -154.014103
where:
bonds (distance) C4'-P energy: -30.383
bonds (distance) P-C4' energy: -34.653
flat angles C4'-P-C4' energy: -30.005
flat angles P-C4'-P energy: -24.396
tors. eta vs tors. theta energy: -34.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -365.202774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.202774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.202774 (E_RNA)
where:
Base-Base interactions energy: -237.494
where: short stacking energy: -118.483
Base-Backbone interact. energy: -0.936
local terms energy: -126.772562
where:
bonds (distance) C4'-P energy: -29.119
bonds (distance) P-C4' energy: -30.981
flat angles C4'-P-C4' energy: -28.297
flat angles P-C4'-P energy: -15.378
tors. eta vs tors. theta energy: -22.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -406.634889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.634889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.634889 (E_RNA)
where:
Base-Base interactions energy: -268.096
where: short stacking energy: -125.696
Base-Backbone interact. energy: 0.747
local terms energy: -139.285314
where:
bonds (distance) C4'-P energy: -34.103
bonds (distance) P-C4' energy: -29.084
flat angles C4'-P-C4' energy: -34.687
flat angles P-C4'-P energy: -12.930
tors. eta vs tors. theta energy: -28.481
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: 1
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -325.877949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.877949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.877949 (E_RNA)
where:
Base-Base interactions energy: -195.889
where: short stacking energy: -100.403
Base-Backbone interact. energy: 0.803
local terms energy: -130.791347
where:
bonds (distance) C4'-P energy: -35.667
bonds (distance) P-C4' energy: -29.858
flat angles C4'-P-C4' energy: -31.800
flat angles P-C4'-P energy: -12.083
tors. eta vs tors. theta energy: -21.384
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: 2
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -312.942644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.942644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.942644 (E_RNA)
where:
Base-Base interactions energy: -192.360
where: short stacking energy: -93.410
Base-Backbone interact. energy: -0.057
local terms energy: -120.525503
where:
bonds (distance) C4'-P energy: -34.866
bonds (distance) P-C4' energy: -26.660
flat angles C4'-P-C4' energy: -31.969
flat angles P-C4'-P energy: -12.076
tors. eta vs tors. theta energy: -14.953
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: 7
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -271.037153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.037153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.037153 (E_RNA)
where:
Base-Base interactions energy: -144.905
where: short stacking energy: -77.859
Base-Backbone interact. energy: -0.426
local terms energy: -125.706553
where:
bonds (distance) C4'-P energy: -26.602
bonds (distance) P-C4' energy: -36.923
flat angles C4'-P-C4' energy: -19.325
flat angles P-C4'-P energy: -29.521
tors. eta vs tors. theta energy: -13.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -228.541004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.541004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.541004 (E_RNA)
where:
Base-Base interactions energy: -115.927
where: short stacking energy: -66.788
Base-Backbone interact. energy: -1.582
local terms energy: -111.032086
where:
bonds (distance) C4'-P energy: -23.084
bonds (distance) P-C4' energy: -26.209
flat angles C4'-P-C4' energy: -35.390
flat angles P-C4'-P energy: -21.613
tors. eta vs tors. theta energy: -4.736
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: 5
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -578.660243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.660243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.660243 (E_RNA)
where:
Base-Base interactions energy: -379.387
where: short stacking energy: -187.925
Base-Backbone interact. energy: -0.094
local terms energy: -199.178566
where:
bonds (distance) C4'-P energy: -38.964
bonds (distance) P-C4' energy: -37.366
flat angles C4'-P-C4' energy: -34.980
flat angles P-C4'-P energy: -33.053
tors. eta vs tors. theta energy: -54.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -538.191688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.191688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.191688 (E_RNA)
where:
Base-Base interactions energy: -350.771
where: short stacking energy: -168.352
Base-Backbone interact. energy: -1.034
local terms energy: -186.386113
where:
bonds (distance) C4'-P energy: -35.888
bonds (distance) P-C4' energy: -37.314
flat angles C4'-P-C4' energy: -40.173
flat angles P-C4'-P energy: -28.833
tors. eta vs tors. theta energy: -44.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -480.807115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.807115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.807115 (E_RNA)
where:
Base-Base interactions energy: -306.973
where: short stacking energy: -167.302
Base-Backbone interact. energy: -0.613
local terms energy: -173.221511
where:
bonds (distance) C4'-P energy: -32.115
bonds (distance) P-C4' energy: -31.477
flat angles C4'-P-C4' energy: -40.650
flat angles P-C4'-P energy: -24.538
tors. eta vs tors. theta energy: -44.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -501.969232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.969232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.969232 (E_RNA)
where:
Base-Base interactions energy: -348.403
where: short stacking energy: -151.777
Base-Backbone interact. energy: -1.125
local terms energy: -152.441180
where:
bonds (distance) C4'-P energy: -29.306
bonds (distance) P-C4' energy: -34.163
flat angles C4'-P-C4' energy: -35.280
flat angles P-C4'-P energy: -16.705
tors. eta vs tors. theta energy: -36.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -390.685316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.685316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.685316 (E_RNA)
where:
Base-Base interactions energy: -248.794
where: short stacking energy: -131.357
Base-Backbone interact. energy: 0.240
local terms energy: -142.131215
where:
bonds (distance) C4'-P energy: -34.903
bonds (distance) P-C4' energy: -31.669
flat angles C4'-P-C4' energy: -30.843
flat angles P-C4'-P energy: -17.036
tors. eta vs tors. theta energy: -27.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -392.364241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.364241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.364241 (E_RNA)
where:
Base-Base interactions energy: -256.759
where: short stacking energy: -127.196
Base-Backbone interact. energy: 2.142
local terms energy: -137.746834
where:
bonds (distance) C4'-P energy: -30.848
bonds (distance) P-C4' energy: -23.452
flat angles C4'-P-C4' energy: -33.200
flat angles P-C4'-P energy: -24.521
tors. eta vs tors. theta energy: -25.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -316.654182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.654182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.654182 (E_RNA)
where:
Base-Base interactions energy: -189.581
where: short stacking energy: -86.667
Base-Backbone interact. energy: -0.045
local terms energy: -127.028421
where:
bonds (distance) C4'-P energy: -23.765
bonds (distance) P-C4' energy: -35.634
flat angles C4'-P-C4' energy: -31.130
flat angles P-C4'-P energy: -21.039
tors. eta vs tors. theta energy: -15.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -316.800368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.800368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.800368 (E_RNA)
where:
Base-Base interactions energy: -189.517
where: short stacking energy: -87.175
Base-Backbone interact. energy: 0.169
local terms energy: -127.451675
where:
bonds (distance) C4'-P energy: -24.988
bonds (distance) P-C4' energy: -30.519
flat angles C4'-P-C4' energy: -30.412
flat angles P-C4'-P energy: -18.701
tors. eta vs tors. theta energy: -22.831
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: 337
Temperature: 1.300000
Total energy: -277.716184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.716184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.716184 (E_RNA)
where:
Base-Base interactions energy: -161.742
where: short stacking energy: -85.404
Base-Backbone interact. energy: 1.520
local terms energy: -117.494266
where:
bonds (distance) C4'-P energy: -31.177
bonds (distance) P-C4' energy: -32.760
flat angles C4'-P-C4' energy: -21.976
flat angles P-C4'-P energy: -22.550
tors. eta vs tors. theta energy: -9.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -252.840243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.840243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.840243 (E_RNA)
where:
Base-Base interactions energy: -128.794
where: short stacking energy: -69.179
Base-Backbone interact. energy: 0.522
local terms energy: -124.568162
where:
bonds (distance) C4'-P energy: -30.776
bonds (distance) P-C4' energy: -31.363
flat angles C4'-P-C4' energy: -28.598
flat angles P-C4'-P energy: -18.287
tors. eta vs tors. theta energy: -15.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -572.890779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.890779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.890779 (E_RNA)
where:
Base-Base interactions energy: -382.640
where: short stacking energy: -185.311
Base-Backbone interact. energy: -0.256
local terms energy: -189.995447
where:
bonds (distance) C4'-P energy: -33.380
bonds (distance) P-C4' energy: -37.787
flat angles C4'-P-C4' energy: -33.170
flat angles P-C4'-P energy: -30.422
tors. eta vs tors. theta energy: -55.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -529.716424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.716424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.716424 (E_RNA)
where:
Base-Base interactions energy: -359.488
where: short stacking energy: -171.684
Base-Backbone interact. energy: -0.237
local terms energy: -169.992075
where:
bonds (distance) C4'-P energy: -33.483
bonds (distance) P-C4' energy: -37.652
flat angles C4'-P-C4' energy: -30.095
flat angles P-C4'-P energy: -22.969
tors. eta vs tors. theta energy: -45.793
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: 6
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -505.076625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.076625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.076625 (E_RNA)
where:
Base-Base interactions energy: -340.612
where: short stacking energy: -152.952
Base-Backbone interact. energy: -1.395
local terms energy: -163.069322
where:
bonds (distance) C4'-P energy: -37.282
bonds (distance) P-C4' energy: -30.300
flat angles C4'-P-C4' energy: -34.772
flat angles P-C4'-P energy: -20.065
tors. eta vs tors. theta energy: -40.650
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: 338
Temperature: 1.050000
Total energy: -459.822316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.822316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.822316 (E_RNA)
where:
Base-Base interactions energy: -291.789
where: short stacking energy: -155.779
Base-Backbone interact. energy: -0.229
local terms energy: -167.804214
where:
bonds (distance) C4'-P energy: -28.221
bonds (distance) P-C4' energy: -35.394
flat angles C4'-P-C4' energy: -35.057
flat angles P-C4'-P energy: -23.913
tors. eta vs tors. theta energy: -45.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -380.985723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.985723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.985723 (E_RNA)
where:
Base-Base interactions energy: -235.290
where: short stacking energy: -117.407
Base-Backbone interact. energy: -0.708
local terms energy: -144.988063
where:
bonds (distance) C4'-P energy: -24.632
bonds (distance) P-C4' energy: -39.080
flat angles C4'-P-C4' energy: -35.627
flat angles P-C4'-P energy: -24.707
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: 6, replica: 3
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -352.691398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.691398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.691398 (E_RNA)
where:
Base-Base interactions energy: -226.560
where: short stacking energy: -107.463
Base-Backbone interact. energy: -1.206
local terms energy: -124.924932
where:
bonds (distance) C4'-P energy: -20.118
bonds (distance) P-C4' energy: -33.575
flat angles C4'-P-C4' energy: -28.725
flat angles P-C4'-P energy: -24.968
tors. eta vs tors. theta energy: -17.539
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: 338
Temperature: 1.200000
Total energy: -369.209955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.209955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.209955 (E_RNA)
where:
Base-Base interactions energy: -232.109
where: short stacking energy: -131.344
Base-Backbone interact. energy: -0.567
local terms energy: -136.533329
where:
bonds (distance) C4'-P energy: -24.884
bonds (distance) P-C4' energy: -30.348
flat angles C4'-P-C4' energy: -27.361
flat angles P-C4'-P energy: -21.996
tors. eta vs tors. theta energy: -31.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -295.254754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.254754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.254754 (E_RNA)
where:
Base-Base interactions energy: -185.741
where: short stacking energy: -75.480
Base-Backbone interact. energy: 0.718
local terms energy: -110.231529
where:
bonds (distance) C4'-P energy: -37.490
bonds (distance) P-C4' energy: -28.422
flat angles C4'-P-C4' energy: -24.943
flat angles P-C4'-P energy: -14.188
tors. eta vs tors. theta energy: -5.188
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: 10
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -261.105634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.105634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.105634 (E_RNA)
where:
Base-Base interactions energy: -162.176
where: short stacking energy: -83.666
Base-Backbone interact. energy: 1.374
local terms energy: -100.303907
where:
bonds (distance) C4'-P energy: -22.597
bonds (distance) P-C4' energy: -30.195
flat angles C4'-P-C4' energy: -23.659
flat angles P-C4'-P energy: -19.432
tors. eta vs tors. theta energy: -4.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -249.739211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.739211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.739211 (E_RNA)
where:
Base-Base interactions energy: -152.685
where: short stacking energy: -70.529
Base-Backbone interact. energy: -0.047
local terms energy: -97.006763
where:
bonds (distance) C4'-P energy: -21.991
bonds (distance) P-C4' energy: -25.418
flat angles C4'-P-C4' energy: -22.309
flat angles P-C4'-P energy: -14.857
tors. eta vs tors. theta energy: -12.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -563.379576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.379576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.379576 (E_RNA)
where:
Base-Base interactions energy: -373.840
where: short stacking energy: -189.468
Base-Backbone interact. energy: -0.050
local terms energy: -189.489886
where:
bonds (distance) C4'-P energy: -35.078
bonds (distance) P-C4' energy: -35.127
flat angles C4'-P-C4' energy: -39.058
flat angles P-C4'-P energy: -21.904
tors. eta vs tors. theta energy: -58.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -540.383610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.383610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.383610 (E_RNA)
where:
Base-Base interactions energy: -369.376
where: short stacking energy: -161.952
Base-Backbone interact. energy: -1.085
local terms energy: -169.922227
where:
bonds (distance) C4'-P energy: -26.112
bonds (distance) P-C4' energy: -35.428
flat angles C4'-P-C4' energy: -35.234
flat angles P-C4'-P energy: -27.117
tors. eta vs tors. theta energy: -46.031
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: 6
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -517.209053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.209053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.209053 (E_RNA)
where:
Base-Base interactions energy: -358.146
where: short stacking energy: -163.447
Base-Backbone interact. energy: -1.928
local terms energy: -157.135045
where:
bonds (distance) C4'-P energy: -35.910
bonds (distance) P-C4' energy: -30.945
flat angles C4'-P-C4' energy: -31.869
flat angles P-C4'-P energy: -21.783
tors. eta vs tors. theta energy: -36.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -454.405417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.405417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.405417 (E_RNA)
where:
Base-Base interactions energy: -290.465
where: short stacking energy: -151.956
Base-Backbone interact. energy: -0.103
local terms energy: -163.837200
where:
bonds (distance) C4'-P energy: -30.535
bonds (distance) P-C4' energy: -33.553
flat angles C4'-P-C4' energy: -27.776
flat angles P-C4'-P energy: -27.020
tors. eta vs tors. theta energy: -44.953
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: 5, replica: 8
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -378.497365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.497365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.497365 (E_RNA)
where:
Base-Base interactions energy: -225.057
where: short stacking energy: -118.536
Base-Backbone interact. energy: -3.073
local terms energy: -150.367548
where:
bonds (distance) C4'-P energy: -36.170
bonds (distance) P-C4' energy: -30.320
flat angles C4'-P-C4' energy: -37.922
flat angles P-C4'-P energy: -22.793
tors. eta vs tors. theta energy: -23.163
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: 2
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -366.728102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.728102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.728102 (E_RNA)
where:
Base-Base interactions energy: -211.652
where: short stacking energy: -103.497
Base-Backbone interact. energy: -0.077
local terms energy: -154.998976
where:
bonds (distance) C4'-P energy: -34.378
bonds (distance) P-C4' energy: -36.028
flat angles C4'-P-C4' energy: -38.441
flat angles P-C4'-P energy: -25.228
tors. eta vs tors. theta energy: -20.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -342.437421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.437421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.437421 (E_RNA)
where:
Base-Base interactions energy: -205.102
where: short stacking energy: -109.466
Base-Backbone interact. energy: -0.453
local terms energy: -136.882494
where:
bonds (distance) C4'-P energy: -30.873
bonds (distance) P-C4' energy: -36.519
flat angles C4'-P-C4' energy: -28.961
flat angles P-C4'-P energy: -22.259
tors. eta vs tors. theta energy: -18.270
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: 10
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -315.546601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.546601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.546601 (E_RNA)
where:
Base-Base interactions energy: -197.846
where: short stacking energy: -94.553
Base-Backbone interact. energy: 0.235
local terms energy: -117.935165
where:
bonds (distance) C4'-P energy: -30.319
bonds (distance) P-C4' energy: -29.843
flat angles C4'-P-C4' energy: -31.260
flat angles P-C4'-P energy: -12.183
tors. eta vs tors. theta energy: -14.331
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: 1
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -290.130845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.130845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.130845 (E_RNA)
where:
Base-Base interactions energy: -172.504
where: short stacking energy: -78.399
Base-Backbone interact. energy: -1.318
local terms energy: -116.308840
where:
bonds (distance) C4'-P energy: -29.455
bonds (distance) P-C4' energy: -27.811
flat angles C4'-P-C4' energy: -32.446
flat angles P-C4'-P energy: -12.399
tors. eta vs tors. theta energy: -14.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -231.180951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.180951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.180951 (E_RNA)
where:
Base-Base interactions energy: -107.406
where: short stacking energy: -61.539
Base-Backbone interact. energy: 0.321
local terms energy: -124.096470
where:
bonds (distance) C4'-P energy: -34.659
bonds (distance) P-C4' energy: -30.334
flat angles C4'-P-C4' energy: -29.712
flat angles P-C4'-P energy: -11.551
tors. eta vs tors. theta energy: -17.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -566.027436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.027436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.027436 (E_RNA)
where:
Base-Base interactions energy: -378.006
where: short stacking energy: -189.828
Base-Backbone interact. energy: -0.200
local terms energy: -187.821395
where:
bonds (distance) C4'-P energy: -28.279
bonds (distance) P-C4' energy: -36.566
flat angles C4'-P-C4' energy: -42.147
flat angles P-C4'-P energy: -27.938
tors. eta vs tors. theta energy: -52.892
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: 5
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -541.855234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.855234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.855234 (E_RNA)
where:
Base-Base interactions energy: -345.238
where: short stacking energy: -190.028
Base-Backbone interact. energy: -0.858
local terms energy: -195.759352
where:
bonds (distance) C4'-P energy: -37.139
bonds (distance) P-C4' energy: -37.170
flat angles C4'-P-C4' energy: -36.442
flat angles P-C4'-P energy: -30.419
tors. eta vs tors. theta energy: -54.590
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: 6
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -527.813858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.813858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.813858 (E_RNA)
where:
Base-Base interactions energy: -352.883
where: short stacking energy: -153.426
Base-Backbone interact. energy: -0.675
local terms energy: -174.256086
where:
bonds (distance) C4'-P energy: -33.033
bonds (distance) P-C4' energy: -37.099
flat angles C4'-P-C4' energy: -37.661
flat angles P-C4'-P energy: -24.571
tors. eta vs tors. theta energy: -41.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -477.345805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.345805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.345805 (E_RNA)
where:
Base-Base interactions energy: -299.248
where: short stacking energy: -160.163
Base-Backbone interact. energy: 0.619
local terms energy: -178.716599
where:
bonds (distance) C4'-P energy: -35.802
bonds (distance) P-C4' energy: -28.443
flat angles C4'-P-C4' energy: -37.471
flat angles P-C4'-P energy: -26.639
tors. eta vs tors. theta energy: -50.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -379.210261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.210261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.210261 (E_RNA)
where:
Base-Base interactions energy: -237.902
where: short stacking energy: -125.057
Base-Backbone interact. energy: 0.356
local terms energy: -141.664903
where:
bonds (distance) C4'-P energy: -26.221
bonds (distance) P-C4' energy: -32.649
flat angles C4'-P-C4' energy: -26.322
flat angles P-C4'-P energy: -25.911
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: 6, replica: 2
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -358.813081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.813081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.813081 (E_RNA)
where:
Base-Base interactions energy: -211.537
where: short stacking energy: -106.443
Base-Backbone interact. energy: -0.032
local terms energy: -147.243917
where:
bonds (distance) C4'-P energy: -27.864
bonds (distance) P-C4' energy: -38.613
flat angles C4'-P-C4' energy: -32.173
flat angles P-C4'-P energy: -26.593
tors. eta vs tors. theta energy: -22.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -337.455744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.455744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.455744 (E_RNA)
where:
Base-Base interactions energy: -199.123
where: short stacking energy: -113.004
Base-Backbone interact. energy: -0.086
local terms energy: -138.247072
where:
bonds (distance) C4'-P energy: -26.853
bonds (distance) P-C4' energy: -28.215
flat angles C4'-P-C4' energy: -36.636
flat angles P-C4'-P energy: -18.092
tors. eta vs tors. theta energy: -28.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -277.778934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.778934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.778934 (E_RNA)
where:
Base-Base interactions energy: -163.054
where: short stacking energy: -79.443
Base-Backbone interact. energy: -2.008
local terms energy: -112.717593
where:
bonds (distance) C4'-P energy: -31.993
bonds (distance) P-C4' energy: -29.655
flat angles C4'-P-C4' energy: -28.970
flat angles P-C4'-P energy: -15.660
tors. eta vs tors. theta energy: -6.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -322.219669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.219669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.219669 (E_RNA)
where:
Base-Base interactions energy: -192.977
where: short stacking energy: -95.005
Base-Backbone interact. energy: -0.496
local terms energy: -128.746206
where:
bonds (distance) C4'-P energy: -33.254
bonds (distance) P-C4' energy: -29.608
flat angles C4'-P-C4' energy: -33.224
flat angles P-C4'-P energy: -12.798
tors. eta vs tors. theta energy: -19.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -233.973396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.973396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.973396 (E_RNA)
where:
Base-Base interactions energy: -122.167
where: short stacking energy: -66.277
Base-Backbone interact. energy: -0.825
local terms energy: -110.981446
where:
bonds (distance) C4'-P energy: -29.544
bonds (distance) P-C4' energy: -40.309
flat angles C4'-P-C4' energy: -20.258
flat angles P-C4'-P energy: -17.993
tors. eta vs tors. theta energy: -2.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -558.776247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.776247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.776247 (E_RNA)
where:
Base-Base interactions energy: -380.246
where: short stacking energy: -185.086
Base-Backbone interact. energy: -0.124
local terms energy: -178.406167
where:
bonds (distance) C4'-P energy: -32.125
bonds (distance) P-C4' energy: -35.055
flat angles C4'-P-C4' energy: -37.174
flat angles P-C4'-P energy: -25.542
tors. eta vs tors. theta energy: -48.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -542.338246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.338246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.338246 (E_RNA)
where:
Base-Base interactions energy: -352.740
where: short stacking energy: -188.882
Base-Backbone interact. energy: -0.204
local terms energy: -189.394338
where:
bonds (distance) C4'-P energy: -31.429
bonds (distance) P-C4' energy: -32.537
flat angles C4'-P-C4' energy: -40.378
flat angles P-C4'-P energy: -28.599
tors. eta vs tors. theta energy: -56.451
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: 6
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -504.915528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.915528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.915528 (E_RNA)
where:
Base-Base interactions energy: -346.242
where: short stacking energy: -161.723
Base-Backbone interact. energy: -1.476
local terms energy: -157.198073
where:
bonds (distance) C4'-P energy: -33.101
bonds (distance) P-C4' energy: -29.517
flat angles C4'-P-C4' energy: -38.245
flat angles P-C4'-P energy: -21.943
tors. eta vs tors. theta energy: -34.393
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: 4, replica: 9
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -468.545519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.545519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.545519 (E_RNA)
where:
Base-Base interactions energy: -294.978
where: short stacking energy: -158.258
Base-Backbone interact. energy: -0.081
local terms energy: -173.485878
where:
bonds (distance) C4'-P energy: -35.557
bonds (distance) P-C4' energy: -34.389
flat angles C4'-P-C4' energy: -37.162
flat angles P-C4'-P energy: -25.258
tors. eta vs tors. theta energy: -41.120
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: 341
Temperature: 1.100000
Total energy: -370.407181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.407181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.407181 (E_RNA)
where:
Base-Base interactions energy: -234.135
where: short stacking energy: -115.308
Base-Backbone interact. energy: -0.405
local terms energy: -135.867736
where:
bonds (distance) C4'-P energy: -32.308
bonds (distance) P-C4' energy: -26.115
flat angles C4'-P-C4' energy: -33.001
flat angles P-C4'-P energy: -21.530
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: 6, replica: 2
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -361.501607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.501607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.501607 (E_RNA)
where:
Base-Base interactions energy: -215.608
where: short stacking energy: -107.370
Base-Backbone interact. energy: -0.158
local terms energy: -145.734801
where:
bonds (distance) C4'-P energy: -34.534
bonds (distance) P-C4' energy: -29.872
flat angles C4'-P-C4' energy: -32.998
flat angles P-C4'-P energy: -27.522
tors. eta vs tors. theta energy: -20.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -337.587319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.587319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.587319 (E_RNA)
where:
Base-Base interactions energy: -201.742
where: short stacking energy: -105.081
Base-Backbone interact. energy: 1.030
local terms energy: -136.875931
where:
bonds (distance) C4'-P energy: -29.076
bonds (distance) P-C4' energy: -34.602
flat angles C4'-P-C4' energy: -28.987
flat angles P-C4'-P energy: -22.486
tors. eta vs tors. theta energy: -21.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -322.349784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.349784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.349784 (E_RNA)
where:
Base-Base interactions energy: -193.832
where: short stacking energy: -102.309
Base-Backbone interact. energy: -1.405
local terms energy: -127.113218
where:
bonds (distance) C4'-P energy: -32.915
bonds (distance) P-C4' energy: -26.706
flat angles C4'-P-C4' energy: -27.377
flat angles P-C4'-P energy: -16.125
tors. eta vs tors. theta energy: -23.990
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: 341
Temperature: 1.300000
Total energy: -220.033193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.033193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.033193 (E_RNA)
where:
Base-Base interactions energy: -113.834
where: short stacking energy: -54.936
Base-Backbone interact. energy: 2.756
local terms energy: -108.955446
where:
bonds (distance) C4'-P energy: -29.958
bonds (distance) P-C4' energy: -31.617
flat angles C4'-P-C4' energy: -28.357
flat angles P-C4'-P energy: -17.694
tors. eta vs tors. theta energy: -1.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -218.751011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.751011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.751011 (E_RNA)
where:
Base-Base interactions energy: -114.016
where: short stacking energy: -59.427
Base-Backbone interact. energy: -0.296
local terms energy: -104.438615
where:
bonds (distance) C4'-P energy: -33.461
bonds (distance) P-C4' energy: -31.145
flat angles C4'-P-C4' energy: -23.960
flat angles P-C4'-P energy: -14.916
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: 5
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -555.970745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.970745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.970745 (E_RNA)
where:
Base-Base interactions energy: -366.073
where: short stacking energy: -197.276
Base-Backbone interact. energy: -0.059
local terms energy: -189.838745
where:
bonds (distance) C4'-P energy: -34.563
bonds (distance) P-C4' energy: -35.158
flat angles C4'-P-C4' energy: -39.650
flat angles P-C4'-P energy: -26.970
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: 4
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -529.075750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.075750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.075750 (E_RNA)
where:
Base-Base interactions energy: -356.307
where: short stacking energy: -164.725
Base-Backbone interact. energy: 0.702
local terms energy: -173.470479
where:
bonds (distance) C4'-P energy: -33.414
bonds (distance) P-C4' energy: -31.251
flat angles C4'-P-C4' energy: -39.750
flat angles P-C4'-P energy: -25.449
tors. eta vs tors. theta energy: -43.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -472.292237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.292237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.292237 (E_RNA)
where:
Base-Base interactions energy: -303.668
where: short stacking energy: -161.218
Base-Backbone interact. energy: -0.072
local terms energy: -168.551924
where:
bonds (distance) C4'-P energy: -34.436
bonds (distance) P-C4' energy: -35.745
flat angles C4'-P-C4' energy: -35.900
flat angles P-C4'-P energy: -21.865
tors. eta vs tors. theta energy: -40.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -489.928679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.928679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.928679 (E_RNA)
where:
Base-Base interactions energy: -320.385
where: short stacking energy: -145.022
Base-Backbone interact. energy: 0.278
local terms energy: -169.821840
where:
bonds (distance) C4'-P energy: -34.518
bonds (distance) P-C4' energy: -32.921
flat angles C4'-P-C4' energy: -40.278
flat angles P-C4'-P energy: -24.311
tors. eta vs tors. theta energy: -37.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -383.219430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.219430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.219430 (E_RNA)
where:
Base-Base interactions energy: -236.361
where: short stacking energy: -121.720
Base-Backbone interact. energy: -0.823
local terms energy: -146.035797
where:
bonds (distance) C4'-P energy: -30.022
bonds (distance) P-C4' energy: -33.857
flat angles C4'-P-C4' energy: -32.667
flat angles P-C4'-P energy: -21.341
tors. eta vs tors. theta energy: -28.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -340.973782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.973782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.973782 (E_RNA)
where:
Base-Base interactions energy: -205.665
where: short stacking energy: -101.418
Base-Backbone interact. energy: -0.278
local terms energy: -135.030590
where:
bonds (distance) C4'-P energy: -30.185
bonds (distance) P-C4' energy: -28.771
flat angles C4'-P-C4' energy: -33.077
flat angles P-C4'-P energy: -20.701
tors. eta vs tors. theta energy: -22.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -321.935683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.935683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.935683 (E_RNA)
where:
Base-Base interactions energy: -201.185
where: short stacking energy: -99.910
Base-Backbone interact. energy: -0.240
local terms energy: -120.510648
where:
bonds (distance) C4'-P energy: -22.824
bonds (distance) P-C4' energy: -36.691
flat angles C4'-P-C4' energy: -20.505
flat angles P-C4'-P energy: -17.852
tors. eta vs tors. theta energy: -22.639
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: 1
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -321.113880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.113880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.113880 (E_RNA)
where:
Base-Base interactions energy: -197.545
where: short stacking energy: -91.944
Base-Backbone interact. energy: -0.088
local terms energy: -123.481075
where:
bonds (distance) C4'-P energy: -32.038
bonds (distance) P-C4' energy: -30.704
flat angles C4'-P-C4' energy: -17.468
flat angles P-C4'-P energy: -22.397
tors. eta vs tors. theta energy: -20.873
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: 9, replica: 7
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -251.088854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.088854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.088854 (E_RNA)
where:
Base-Base interactions energy: -152.283
where: short stacking energy: -83.720
Base-Backbone interact. energy: 2.460
local terms energy: -101.265848
where:
bonds (distance) C4'-P energy: -30.790
bonds (distance) P-C4' energy: -23.408
flat angles C4'-P-C4' energy: -25.926
flat angles P-C4'-P energy: -7.888
tors. eta vs tors. theta energy: -13.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -205.300386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.300386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.300386 (E_RNA)
where:
Base-Base interactions energy: -104.544
where: short stacking energy: -57.390
Base-Backbone interact. energy: -1.164
local terms energy: -99.592205
where:
bonds (distance) C4'-P energy: -27.656
bonds (distance) P-C4' energy: -33.606
flat angles C4'-P-C4' energy: -24.330
flat angles P-C4'-P energy: -15.815
tors. eta vs tors. theta energy: 1.814
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: 5
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -552.480162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.480162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.480162 (E_RNA)
where:
Base-Base interactions energy: -362.614
where: short stacking energy: -185.068
Base-Backbone interact. energy: -0.371
local terms energy: -189.495008
where:
bonds (distance) C4'-P energy: -34.890
bonds (distance) P-C4' energy: -40.164
flat angles C4'-P-C4' energy: -32.827
flat angles P-C4'-P energy: -29.190
tors. eta vs tors. theta energy: -52.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -544.096899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.096899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.096899 (E_RNA)
where:
Base-Base interactions energy: -377.389
where: short stacking energy: -162.294
Base-Backbone interact. energy: -0.562
local terms energy: -166.145169
where:
bonds (distance) C4'-P energy: -36.442
bonds (distance) P-C4' energy: -30.243
flat angles C4'-P-C4' energy: -29.191
flat angles P-C4'-P energy: -25.831
tors. eta vs tors. theta energy: -44.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -458.499165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.499165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.499165 (E_RNA)
where:
Base-Base interactions energy: -294.484
where: short stacking energy: -152.097
Base-Backbone interact. energy: 0.018
local terms energy: -164.032961
where:
bonds (distance) C4'-P energy: -30.405
bonds (distance) P-C4' energy: -37.984
flat angles C4'-P-C4' energy: -34.635
flat angles P-C4'-P energy: -22.700
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: 4, replica: 6
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -481.984607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.984607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.984607 (E_RNA)
where:
Base-Base interactions energy: -326.552
where: short stacking energy: -136.439
Base-Backbone interact. energy: -1.278
local terms energy: -154.155104
where:
bonds (distance) C4'-P energy: -37.362
bonds (distance) P-C4' energy: -29.103
flat angles C4'-P-C4' energy: -36.620
flat angles P-C4'-P energy: -20.543
tors. eta vs tors. theta energy: -30.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -408.385719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.385719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.385719 (E_RNA)
where:
Base-Base interactions energy: -251.617
where: short stacking energy: -131.969
Base-Backbone interact. energy: -0.233
local terms energy: -156.535168
where:
bonds (distance) C4'-P energy: -36.795
bonds (distance) P-C4' energy: -36.673
flat angles C4'-P-C4' energy: -30.583
flat angles P-C4'-P energy: -22.841
tors. eta vs tors. theta energy: -29.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -340.950703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.950703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.950703 (E_RNA)
where:
Base-Base interactions energy: -199.027
where: short stacking energy: -106.607
Base-Backbone interact. energy: -1.240
local terms energy: -140.684570
where:
bonds (distance) C4'-P energy: -23.935
bonds (distance) P-C4' energy: -31.434
flat angles C4'-P-C4' energy: -33.838
flat angles P-C4'-P energy: -24.641
tors. eta vs tors. theta energy: -26.837
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: 3
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -323.770864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.770864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.770864 (E_RNA)
where:
Base-Base interactions energy: -190.398
where: short stacking energy: -94.172
Base-Backbone interact. energy: -0.652
local terms energy: -132.720464
where:
bonds (distance) C4'-P energy: -29.758
bonds (distance) P-C4' energy: -37.353
flat angles C4'-P-C4' energy: -29.669
flat angles P-C4'-P energy: -19.569
tors. eta vs tors. theta energy: -16.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -316.028035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.028035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.028035 (E_RNA)
where:
Base-Base interactions energy: -178.848
where: short stacking energy: -88.970
Base-Backbone interact. energy: -0.680
local terms energy: -136.499335
where:
bonds (distance) C4'-P energy: -33.007
bonds (distance) P-C4' energy: -36.678
flat angles C4'-P-C4' energy: -35.779
flat angles P-C4'-P energy: -19.048
tors. eta vs tors. theta energy: -11.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -250.152479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.152479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.152479 (E_RNA)
where:
Base-Base interactions energy: -134.180
where: short stacking energy: -82.303
Base-Backbone interact. energy: 0.254
local terms energy: -116.226346
where:
bonds (distance) C4'-P energy: -29.731
bonds (distance) P-C4' energy: -30.749
flat angles C4'-P-C4' energy: -27.320
flat angles P-C4'-P energy: -16.007
tors. eta vs tors. theta energy: -12.419
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: 343
Temperature: 1.350000
Total energy: -234.344692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.344692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.344692 (E_RNA)
where:
Base-Base interactions energy: -128.858
where: short stacking energy: -72.288
Base-Backbone interact. energy: -0.970
local terms energy: -104.516720
where:
bonds (distance) C4'-P energy: -35.403
bonds (distance) P-C4' energy: -30.169
flat angles C4'-P-C4' energy: -18.659
flat angles P-C4'-P energy: -14.997
tors. eta vs tors. theta energy: -5.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -555.717524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.717524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.717524 (E_RNA)
where:
Base-Base interactions energy: -381.805
where: short stacking energy: -170.017
Base-Backbone interact. energy: 1.452
local terms energy: -175.364481
where:
bonds (distance) C4'-P energy: -33.771
bonds (distance) P-C4' energy: -32.584
flat angles C4'-P-C4' energy: -37.639
flat angles P-C4'-P energy: -25.992
tors. eta vs tors. theta energy: -45.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -540.361218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.361218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.361218 (E_RNA)
where:
Base-Base interactions energy: -352.305
where: short stacking energy: -184.369
Base-Backbone interact. energy: -0.027
local terms energy: -188.029108
where:
bonds (distance) C4'-P energy: -33.495
bonds (distance) P-C4' energy: -37.604
flat angles C4'-P-C4' energy: -35.243
flat angles P-C4'-P energy: -23.859
tors. eta vs tors. theta energy: -57.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -517.695817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.695817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.695817 (E_RNA)
where:
Base-Base interactions energy: -350.973
where: short stacking energy: -154.002
Base-Backbone interact. energy: 0.665
local terms energy: -167.388434
where:
bonds (distance) C4'-P energy: -31.569
bonds (distance) P-C4' energy: -36.443
flat angles C4'-P-C4' energy: -33.987
flat angles P-C4'-P energy: -26.036
tors. eta vs tors. theta energy: -39.353
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: 9
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -440.272040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.272040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.272040 (E_RNA)
where:
Base-Base interactions energy: -278.551
where: short stacking energy: -137.386
Base-Backbone interact. energy: -0.680
local terms energy: -161.040731
where:
bonds (distance) C4'-P energy: -33.880
bonds (distance) P-C4' energy: -35.977
flat angles C4'-P-C4' energy: -32.978
flat angles P-C4'-P energy: -24.951
tors. eta vs tors. theta energy: -33.254
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: 5, replica: 8
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -387.068301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.068301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.068301 (E_RNA)
where:
Base-Base interactions energy: -237.224
where: short stacking energy: -108.083
Base-Backbone interact. energy: -1.945
local terms energy: -147.899962
where:
bonds (distance) C4'-P energy: -37.139
bonds (distance) P-C4' energy: -28.293
flat angles C4'-P-C4' energy: -33.199
flat angles P-C4'-P energy: -23.031
tors. eta vs tors. theta energy: -26.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -363.986844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.986844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.986844 (E_RNA)
where:
Base-Base interactions energy: -226.663
where: short stacking energy: -121.292
Base-Backbone interact. energy: -0.372
local terms energy: -136.952293
where:
bonds (distance) C4'-P energy: -32.231
bonds (distance) P-C4' energy: -25.263
flat angles C4'-P-C4' energy: -32.031
flat angles P-C4'-P energy: -17.636
tors. eta vs tors. theta energy: -29.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -326.385847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.385847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.385847 (E_RNA)
where:
Base-Base interactions energy: -188.020
where: short stacking energy: -79.002
Base-Backbone interact. energy: -1.348
local terms energy: -137.018499
where:
bonds (distance) C4'-P energy: -28.410
bonds (distance) P-C4' energy: -37.747
flat angles C4'-P-C4' energy: -33.902
flat angles P-C4'-P energy: -19.114
tors. eta vs tors. theta energy: -17.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -319.414073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.414073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.414073 (E_RNA)
where:
Base-Base interactions energy: -201.985
where: short stacking energy: -98.446
Base-Backbone interact. energy: -1.599
local terms energy: -115.829418
where:
bonds (distance) C4'-P energy: -27.649
bonds (distance) P-C4' energy: -30.132
flat angles C4'-P-C4' energy: -30.997
flat angles P-C4'-P energy: -14.826
tors. eta vs tors. theta energy: -12.225
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: 344
Temperature: 1.300000
Total energy: -270.245069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.245069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.245069 (E_RNA)
where:
Base-Base interactions energy: -158.423
where: short stacking energy: -96.102
Base-Backbone interact. energy: -0.304
local terms energy: -111.518005
where:
bonds (distance) C4'-P energy: -28.886
bonds (distance) P-C4' energy: -30.313
flat angles C4'-P-C4' energy: -24.855
flat angles P-C4'-P energy: -9.200
tors. eta vs tors. theta energy: -18.264
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: 7
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -276.168749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.168749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.168749 (E_RNA)
where:
Base-Base interactions energy: -181.159
where: short stacking energy: -85.312
Base-Backbone interact. energy: -0.673
local terms energy: -94.336208
where:
bonds (distance) C4'-P energy: -31.100
bonds (distance) P-C4' energy: -23.255
flat angles C4'-P-C4' energy: -23.104
flat angles P-C4'-P energy: -10.750
tors. eta vs tors. theta energy: -6.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -552.361484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.361484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.361484 (E_RNA)
where:
Base-Base interactions energy: -379.651
where: short stacking energy: -175.438
Base-Backbone interact. energy: 0.366
local terms energy: -173.076396
where:
bonds (distance) C4'-P energy: -35.592
bonds (distance) P-C4' energy: -37.375
flat angles C4'-P-C4' energy: -31.427
flat angles P-C4'-P energy: -24.896
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: 2, replica: 6
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -530.235558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.235558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.235558 (E_RNA)
where:
Base-Base interactions energy: -349.531
where: short stacking energy: -162.432
Base-Backbone interact. energy: -0.808
local terms energy: -179.895978
where:
bonds (distance) C4'-P energy: -31.151
bonds (distance) P-C4' energy: -38.796
flat angles C4'-P-C4' energy: -34.563
flat angles P-C4'-P energy: -30.179
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: 3, replica: 5
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -541.334604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.334604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.334604 (E_RNA)
where:
Base-Base interactions energy: -359.632
where: short stacking energy: -185.777
Base-Backbone interact. energy: -0.526
local terms energy: -181.176431
where:
bonds (distance) C4'-P energy: -36.151
bonds (distance) P-C4' energy: -27.476
flat angles C4'-P-C4' energy: -43.349
flat angles P-C4'-P energy: -21.191
tors. eta vs tors. theta energy: -53.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -455.539177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.539177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.539177 (E_RNA)
where:
Base-Base interactions energy: -289.230
where: short stacking energy: -142.398
Base-Backbone interact. energy: -0.635
local terms energy: -165.674556
where:
bonds (distance) C4'-P energy: -38.741
bonds (distance) P-C4' energy: -34.151
flat angles C4'-P-C4' energy: -34.784
flat angles P-C4'-P energy: -21.818
tors. eta vs tors. theta energy: -36.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -379.370174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.370174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.370174 (E_RNA)
where:
Base-Base interactions energy: -253.034
where: short stacking energy: -103.364
Base-Backbone interact. energy: 1.173
local terms energy: -127.508607
where:
bonds (distance) C4'-P energy: -32.286
bonds (distance) P-C4' energy: -38.013
flat angles C4'-P-C4' energy: -23.278
flat angles P-C4'-P energy: -20.472
tors. eta vs tors. theta energy: -13.460
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: 3
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -353.492641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.492641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.492641 (E_RNA)
where:
Base-Base interactions energy: -220.544
where: short stacking energy: -117.943
Base-Backbone interact. energy: -0.430
local terms energy: -132.518123
where:
bonds (distance) C4'-P energy: -34.215
bonds (distance) P-C4' energy: -29.627
flat angles C4'-P-C4' energy: -31.277
flat angles P-C4'-P energy: -19.533
tors. eta vs tors. theta energy: -17.867
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: 7, replica: 2
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -346.435573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.435573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.435573 (E_RNA)
where:
Base-Base interactions energy: -213.377
where: short stacking energy: -96.779
Base-Backbone interact. energy: -0.420
local terms energy: -132.638589
where:
bonds (distance) C4'-P energy: -28.527
bonds (distance) P-C4' energy: -28.547
flat angles C4'-P-C4' energy: -34.392
flat angles P-C4'-P energy: -23.869
tors. eta vs tors. theta energy: -17.304
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: 1
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -331.870053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.870053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.870053 (E_RNA)
where:
Base-Base interactions energy: -204.124
where: short stacking energy: -100.088
Base-Backbone interact. energy: -0.602
local terms energy: -127.144238
where:
bonds (distance) C4'-P energy: -25.850
bonds (distance) P-C4' energy: -33.439
flat angles C4'-P-C4' energy: -30.706
flat angles P-C4'-P energy: -17.217
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: 9, replica: 10
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -239.313970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.313970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.313970 (E_RNA)
where:
Base-Base interactions energy: -131.633
where: short stacking energy: -58.593
Base-Backbone interact. energy: -0.357
local terms energy: -107.323723
where:
bonds (distance) C4'-P energy: -31.841
bonds (distance) P-C4' energy: -28.179
flat angles C4'-P-C4' energy: -25.779
flat angles P-C4'-P energy: -17.618
tors. eta vs tors. theta energy: -3.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -274.585184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.585184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.585184 (E_RNA)
where:
Base-Base interactions energy: -179.332
where: short stacking energy: -80.642
Base-Backbone interact. energy: -0.261
local terms energy: -94.991701
where:
bonds (distance) C4'-P energy: -22.146
bonds (distance) P-C4' energy: -23.733
flat angles C4'-P-C4' energy: -32.888
flat angles P-C4'-P energy: -9.048
tors. eta vs tors. theta energy: -7.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -544.785500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.785500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.785500 (E_RNA)
where:
Base-Base interactions energy: -366.666
where: short stacking energy: -181.644
Base-Backbone interact. energy: -0.452
local terms energy: -177.667064
where:
bonds (distance) C4'-P energy: -35.167
bonds (distance) P-C4' energy: -32.668
flat angles C4'-P-C4' energy: -34.025
flat angles P-C4'-P energy: -26.921
tors. eta vs tors. theta energy: -48.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -534.089553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.089553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.089553 (E_RNA)
where:
Base-Base interactions energy: -358.872
where: short stacking energy: -176.795
Base-Backbone interact. energy: -0.674
local terms energy: -174.544174
where:
bonds (distance) C4'-P energy: -32.848
bonds (distance) P-C4' energy: -33.623
flat angles C4'-P-C4' energy: -38.215
flat angles P-C4'-P energy: -26.549
tors. eta vs tors. theta energy: -43.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -503.910136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.910136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.910136 (E_RNA)
where:
Base-Base interactions energy: -323.323
where: short stacking energy: -165.215
Base-Backbone interact. energy: 0.192
local terms energy: -180.778609
where:
bonds (distance) C4'-P energy: -36.063
bonds (distance) P-C4' energy: -35.006
flat angles C4'-P-C4' energy: -41.305
flat angles P-C4'-P energy: -23.979
tors. eta vs tors. theta energy: -44.427
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: 9
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -462.866541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.866541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.866541 (E_RNA)
where:
Base-Base interactions energy: -296.050
where: short stacking energy: -138.467
Base-Backbone interact. energy: -1.120
local terms energy: -165.696438
where:
bonds (distance) C4'-P energy: -33.665
bonds (distance) P-C4' energy: -33.059
flat angles C4'-P-C4' energy: -36.680
flat angles P-C4'-P energy: -25.508
tors. eta vs tors. theta energy: -36.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -366.379062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.379062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.379062 (E_RNA)
where:
Base-Base interactions energy: -224.577
where: short stacking energy: -115.405
Base-Backbone interact. energy: -1.102
local terms energy: -140.699515
where:
bonds (distance) C4'-P energy: -27.261
bonds (distance) P-C4' energy: -34.115
flat angles C4'-P-C4' energy: -34.517
flat angles P-C4'-P energy: -18.588
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: 6, replica: 8
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -375.673132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.673132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.673132 (E_RNA)
where:
Base-Base interactions energy: -239.133
where: short stacking energy: -113.457
Base-Backbone interact. energy: -0.767
local terms energy: -135.772266
where:
bonds (distance) C4'-P energy: -32.551
bonds (distance) P-C4' energy: -29.643
flat angles C4'-P-C4' energy: -31.190
flat angles P-C4'-P energy: -14.203
tors. eta vs tors. theta energy: -28.186
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: 2
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -355.005505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.005505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.005505 (E_RNA)
where:
Base-Base interactions energy: -216.069
where: short stacking energy: -107.596
Base-Backbone interact. energy: -0.040
local terms energy: -138.896785
where:
bonds (distance) C4'-P energy: -29.615
bonds (distance) P-C4' energy: -24.558
flat angles C4'-P-C4' energy: -35.522
flat angles P-C4'-P energy: -24.457
tors. eta vs tors. theta energy: -24.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -333.424268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.424268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.424268 (E_RNA)
where:
Base-Base interactions energy: -198.342
where: short stacking energy: -126.639
Base-Backbone interact. energy: -0.258
local terms energy: -134.824062
where:
bonds (distance) C4'-P energy: -28.651
bonds (distance) P-C4' energy: -28.305
flat angles C4'-P-C4' energy: -32.869
flat angles P-C4'-P energy: -18.746
tors. eta vs tors. theta energy: -26.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -303.757891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.757891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.757891 (E_RNA)
where:
Base-Base interactions energy: -182.101
where: short stacking energy: -89.152
Base-Backbone interact. energy: -0.548
local terms energy: -121.108887
where:
bonds (distance) C4'-P energy: -33.427
bonds (distance) P-C4' energy: -25.456
flat angles C4'-P-C4' energy: -31.046
flat angles P-C4'-P energy: -16.246
tors. eta vs tors. theta energy: -14.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -275.844753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.844753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.844753 (E_RNA)
where:
Base-Base interactions energy: -159.241
where: short stacking energy: -66.785
Base-Backbone interact. energy: -0.560
local terms energy: -116.043534
where:
bonds (distance) C4'-P energy: -26.948
bonds (distance) P-C4' energy: -37.752
flat angles C4'-P-C4' energy: -30.087
flat angles P-C4'-P energy: -16.728
tors. eta vs tors. theta energy: -4.529
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: 4
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -540.320791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.320791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.320791 (E_RNA)
where:
Base-Base interactions energy: -351.939
where: short stacking energy: -154.545
Base-Backbone interact. energy: -0.589
local terms energy: -187.792999
where:
bonds (distance) C4'-P energy: -38.295
bonds (distance) P-C4' energy: -41.249
flat angles C4'-P-C4' energy: -36.458
flat angles P-C4'-P energy: -29.022
tors. eta vs tors. theta energy: -42.769
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: 2, replica: 5
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -542.570616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.570616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.570616 (E_RNA)
where:
Base-Base interactions energy: -349.371
where: short stacking energy: -171.783
Base-Backbone interact. energy: 0.104
local terms energy: -193.303163
where:
bonds (distance) C4'-P energy: -34.870
bonds (distance) P-C4' energy: -40.084
flat angles C4'-P-C4' energy: -43.066
flat angles P-C4'-P energy: -25.799
tors. eta vs tors. theta energy: -49.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -534.451358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.451358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.451358 (E_RNA)
where:
Base-Base interactions energy: -355.011
where: short stacking energy: -159.632
Base-Backbone interact. energy: -0.284
local terms energy: -179.156860
where:
bonds (distance) C4'-P energy: -34.436
bonds (distance) P-C4' energy: -33.358
flat angles C4'-P-C4' energy: -36.839
flat angles P-C4'-P energy: -28.931
tors. eta vs tors. theta energy: -45.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -463.538573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.538573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.538573 (E_RNA)
where:
Base-Base interactions energy: -309.536
where: short stacking energy: -153.012
Base-Backbone interact. energy: -0.499
local terms energy: -153.503019
where:
bonds (distance) C4'-P energy: -31.558
bonds (distance) P-C4' energy: -36.325
flat angles C4'-P-C4' energy: -29.760
flat angles P-C4'-P energy: -19.014
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: 5, replica: 3
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -375.522881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.522881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.522881 (E_RNA)
where:
Base-Base interactions energy: -222.031
where: short stacking energy: -104.296
Base-Backbone interact. energy: -0.139
local terms energy: -153.352952
where:
bonds (distance) C4'-P energy: -33.208
bonds (distance) P-C4' energy: -39.212
flat angles C4'-P-C4' energy: -34.023
flat angles P-C4'-P energy: -25.523
tors. eta vs tors. theta energy: -21.387
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: 8
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -362.068478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.068478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.068478 (E_RNA)
where:
Base-Base interactions energy: -236.334
where: short stacking energy: -102.151
Base-Backbone interact. energy: 4.252
local terms energy: -129.986142
where:
bonds (distance) C4'-P energy: -30.884
bonds (distance) P-C4' energy: -34.050
flat angles C4'-P-C4' energy: -26.237
flat angles P-C4'-P energy: -16.894
tors. eta vs tors. theta energy: -21.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -333.952453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.952453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.952453 (E_RNA)
where:
Base-Base interactions energy: -204.967
where: short stacking energy: -98.997
Base-Backbone interact. energy: -0.907
local terms energy: -128.077757
where:
bonds (distance) C4'-P energy: -29.207
bonds (distance) P-C4' energy: -31.407
flat angles C4'-P-C4' energy: -34.351
flat angles P-C4'-P energy: -22.418
tors. eta vs tors. theta energy: -10.694
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: 1
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -318.815443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.815443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.815443 (E_RNA)
where:
Base-Base interactions energy: -194.668
where: short stacking energy: -91.567
Base-Backbone interact. energy: -0.493
local terms energy: -123.654086
where:
bonds (distance) C4'-P energy: -33.102
bonds (distance) P-C4' energy: -32.716
flat angles C4'-P-C4' energy: -33.655
flat angles P-C4'-P energy: -12.398
tors. eta vs tors. theta energy: -11.783
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: 347
Temperature: 1.300000
Total energy: -326.537343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.537343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.537343 (E_RNA)
where:
Base-Base interactions energy: -207.489
where: short stacking energy: -107.299
Base-Backbone interact. energy: -0.415
local terms energy: -118.633120
where:
bonds (distance) C4'-P energy: -29.883
bonds (distance) P-C4' energy: -31.470
flat angles C4'-P-C4' energy: -26.595
flat angles P-C4'-P energy: -12.111
tors. eta vs tors. theta energy: -18.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -269.197069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.197069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.197069 (E_RNA)
where:
Base-Base interactions energy: -155.469
where: short stacking energy: -84.320
Base-Backbone interact. energy: -0.486
local terms energy: -113.242202
where:
bonds (distance) C4'-P energy: -29.456
bonds (distance) P-C4' energy: -26.718
flat angles C4'-P-C4' energy: -27.324
flat angles P-C4'-P energy: -14.083
tors. eta vs tors. theta energy: -15.661
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: 5
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -564.163689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.163689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.163689 (E_RNA)
where:
Base-Base interactions energy: -371.540
where: short stacking energy: -178.291
Base-Backbone interact. energy: 0.172
local terms energy: -192.796209
where:
bonds (distance) C4'-P energy: -33.304
bonds (distance) P-C4' energy: -39.363
flat angles C4'-P-C4' energy: -43.073
flat angles P-C4'-P energy: -26.876
tors. eta vs tors. theta energy: -50.180
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: 4
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -520.330654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.330654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.330654 (E_RNA)
where:
Base-Base interactions energy: -347.337
where: short stacking energy: -159.345
Base-Backbone interact. energy: -0.021
local terms energy: -172.972336
where:
bonds (distance) C4'-P energy: -36.386
bonds (distance) P-C4' energy: -33.272
flat angles C4'-P-C4' energy: -37.237
flat angles P-C4'-P energy: -25.979
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: 3, replica: 6
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -491.903638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.903638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.903638 (E_RNA)
where:
Base-Base interactions energy: -334.203
where: short stacking energy: -146.970
Base-Backbone interact. energy: -0.352
local terms energy: -157.348009
where:
bonds (distance) C4'-P energy: -26.889
bonds (distance) P-C4' energy: -32.361
flat angles C4'-P-C4' energy: -40.268
flat angles P-C4'-P energy: -22.895
tors. eta vs tors. theta energy: -34.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -460.548354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.548354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.548354 (E_RNA)
where:
Base-Base interactions energy: -287.864
where: short stacking energy: -147.157
Base-Backbone interact. energy: -0.673
local terms energy: -172.010906
where:
bonds (distance) C4'-P energy: -32.468
bonds (distance) P-C4' energy: -37.877
flat angles C4'-P-C4' energy: -33.972
flat angles P-C4'-P energy: -26.124
tors. eta vs tors. theta energy: -41.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -371.647231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.647231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.647231 (E_RNA)
where:
Base-Base interactions energy: -222.403
where: short stacking energy: -106.815
Base-Backbone interact. energy: 2.766
local terms energy: -152.009628
where:
bonds (distance) C4'-P energy: -39.244
bonds (distance) P-C4' energy: -34.889
flat angles C4'-P-C4' energy: -32.477
flat angles P-C4'-P energy: -18.733
tors. eta vs tors. theta energy: -26.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -378.237126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.237126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.237126 (E_RNA)
where:
Base-Base interactions energy: -248.986
where: short stacking energy: -120.351
Base-Backbone interact. energy: -0.260
local terms energy: -128.990922
where:
bonds (distance) C4'-P energy: -30.026
bonds (distance) P-C4' energy: -26.179
flat angles C4'-P-C4' energy: -33.119
flat angles P-C4'-P energy: -19.518
tors. eta vs tors. theta energy: -20.149
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: 1
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -347.894894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.894894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.894894 (E_RNA)
where:
Base-Base interactions energy: -204.757
where: short stacking energy: -100.112
Base-Backbone interact. energy: 0.163
local terms energy: -143.300760
where:
bonds (distance) C4'-P energy: -32.561
bonds (distance) P-C4' energy: -33.560
flat angles C4'-P-C4' energy: -27.543
flat angles P-C4'-P energy: -25.244
tors. eta vs tors. theta energy: -24.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -302.889676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.889676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.889676 (E_RNA)
where:
Base-Base interactions energy: -205.779
where: short stacking energy: -90.531
Base-Backbone interact. energy: 4.535
local terms energy: -101.645667
where:
bonds (distance) C4'-P energy: -31.099
bonds (distance) P-C4' energy: -26.439
flat angles C4'-P-C4' energy: -18.920
flat angles P-C4'-P energy: -13.660
tors. eta vs tors. theta energy: -11.528
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: 7
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -318.548975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.548975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.548975 (E_RNA)
where:
Base-Base interactions energy: -194.922
where: short stacking energy: -97.663
Base-Backbone interact. energy: 0.143
local terms energy: -123.770355
where:
bonds (distance) C4'-P energy: -21.283
bonds (distance) P-C4' energy: -31.352
flat angles C4'-P-C4' energy: -26.831
flat angles P-C4'-P energy: -23.236
tors. eta vs tors. theta energy: -21.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -244.092201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.092201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.092201 (E_RNA)
where:
Base-Base interactions energy: -134.617
where: short stacking energy: -77.883
Base-Backbone interact. energy: -0.281
local terms energy: -109.193957
where:
bonds (distance) C4'-P energy: -34.510
bonds (distance) P-C4' energy: -29.475
flat angles C4'-P-C4' energy: -26.403
flat angles P-C4'-P energy: -10.535
tors. eta vs tors. theta energy: -8.272
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: 5
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -560.865292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.865292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.865292 (E_RNA)
where:
Base-Base interactions energy: -369.901
where: short stacking energy: -176.205
Base-Backbone interact. energy: -0.723
local terms energy: -190.241326
where:
bonds (distance) C4'-P energy: -34.923
bonds (distance) P-C4' energy: -32.377
flat angles C4'-P-C4' energy: -40.036
flat angles P-C4'-P energy: -27.219
tors. eta vs tors. theta energy: -55.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -550.213283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.213283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.213283 (E_RNA)
where:
Base-Base interactions energy: -368.879
where: short stacking energy: -174.571
Base-Backbone interact. energy: -0.342
local terms energy: -180.992811
where:
bonds (distance) C4'-P energy: -33.770
bonds (distance) P-C4' energy: -35.222
flat angles C4'-P-C4' energy: -34.505
flat angles P-C4'-P energy: -30.763
tors. eta vs tors. theta energy: -46.733
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: 6
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -506.011814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.011814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.011814 (E_RNA)
where:
Base-Base interactions energy: -342.863
where: short stacking energy: -145.022
Base-Backbone interact. energy: 0.022
local terms energy: -163.171398
where:
bonds (distance) C4'-P energy: -36.845
bonds (distance) P-C4' energy: -33.841
flat angles C4'-P-C4' energy: -37.204
flat angles P-C4'-P energy: -21.924
tors. eta vs tors. theta energy: -33.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -440.163442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.163442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.163442 (E_RNA)
where:
Base-Base interactions energy: -284.027
where: short stacking energy: -146.117
Base-Backbone interact. energy: -0.591
local terms energy: -155.545357
where:
bonds (distance) C4'-P energy: -25.229
bonds (distance) P-C4' energy: -35.137
flat angles C4'-P-C4' energy: -29.675
flat angles P-C4'-P energy: -27.044
tors. eta vs tors. theta energy: -38.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -382.456969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.456969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.456969 (E_RNA)
where:
Base-Base interactions energy: -249.744
where: short stacking energy: -98.019
Base-Backbone interact. energy: 1.142
local terms energy: -133.855455
where:
bonds (distance) C4'-P energy: -31.323
bonds (distance) P-C4' energy: -24.170
flat angles C4'-P-C4' energy: -34.022
flat angles P-C4'-P energy: -27.428
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: 6, replica: 1
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -360.504586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.504586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.504586 (E_RNA)
where:
Base-Base interactions energy: -225.663
where: short stacking energy: -126.731
Base-Backbone interact. energy: 0.608
local terms energy: -135.449449
where:
bonds (distance) C4'-P energy: -33.723
bonds (distance) P-C4' energy: -31.901
flat angles C4'-P-C4' energy: -24.770
flat angles P-C4'-P energy: -12.774
tors. eta vs tors. theta energy: -32.282
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: 3
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -344.497940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.497940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.497940 (E_RNA)
where:
Base-Base interactions energy: -207.351
where: short stacking energy: -105.813
Base-Backbone interact. energy: -0.339
local terms energy: -136.807933
where:
bonds (distance) C4'-P energy: -22.876
bonds (distance) P-C4' energy: -33.597
flat angles C4'-P-C4' energy: -32.658
flat angles P-C4'-P energy: -25.818
tors. eta vs tors. theta energy: -21.858
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: 2
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -321.978915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.978915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.978915 (E_RNA)
where:
Base-Base interactions energy: -205.364
where: short stacking energy: -100.828
Base-Backbone interact. energy: -0.639
local terms energy: -115.975369
where:
bonds (distance) C4'-P energy: -25.615
bonds (distance) P-C4' energy: -25.636
flat angles C4'-P-C4' energy: -26.339
flat angles P-C4'-P energy: -23.859
tors. eta vs tors. theta energy: -14.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -304.271421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.271421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.271421 (E_RNA)
where:
Base-Base interactions energy: -184.950
where: short stacking energy: -88.245
Base-Backbone interact. energy: -1.162
local terms energy: -118.159097
where:
bonds (distance) C4'-P energy: -25.898
bonds (distance) P-C4' energy: -35.287
flat angles C4'-P-C4' energy: -24.189
flat angles P-C4'-P energy: -18.541
tors. eta vs tors. theta energy: -14.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -228.217095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.217095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.217095 (E_RNA)
where:
Base-Base interactions energy: -128.974
where: short stacking energy: -85.921
Base-Backbone interact. energy: 0.013
local terms energy: -99.256416
where:
bonds (distance) C4'-P energy: -29.585
bonds (distance) P-C4' energy: -30.072
flat angles C4'-P-C4' energy: -18.682
flat angles P-C4'-P energy: -13.943
tors. eta vs tors. theta energy: -6.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -546.440909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.440909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.440909 (E_RNA)
where:
Base-Base interactions energy: -366.498
where: short stacking energy: -180.037
Base-Backbone interact. energy: -0.410
local terms energy: -179.532642
where:
bonds (distance) C4'-P energy: -34.436
bonds (distance) P-C4' energy: -37.674
flat angles C4'-P-C4' energy: -37.459
flat angles P-C4'-P energy: -22.605
tors. eta vs tors. theta energy: -47.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -542.954506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.954506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.954506 (E_RNA)
where:
Base-Base interactions energy: -363.979
where: short stacking energy: -174.944
Base-Backbone interact. energy: 0.234
local terms energy: -179.209846
where:
bonds (distance) C4'-P energy: -34.473
bonds (distance) P-C4' energy: -36.678
flat angles C4'-P-C4' energy: -37.948
flat angles P-C4'-P energy: -23.614
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: 3, replica: 6
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -512.505366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.505366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.505366 (E_RNA)
where:
Base-Base interactions energy: -357.448
where: short stacking energy: -158.167
Base-Backbone interact. energy: -0.780
local terms energy: -154.276768
where:
bonds (distance) C4'-P energy: -30.284
bonds (distance) P-C4' energy: -37.455
flat angles C4'-P-C4' energy: -29.670
flat angles P-C4'-P energy: -24.405
tors. eta vs tors. theta energy: -32.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -458.864363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.864363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.864363 (E_RNA)
where:
Base-Base interactions energy: -297.898
where: short stacking energy: -137.550
Base-Backbone interact. energy: -1.327
local terms energy: -159.639689
where:
bonds (distance) C4'-P energy: -33.469
bonds (distance) P-C4' energy: -35.452
flat angles C4'-P-C4' energy: -35.076
flat angles P-C4'-P energy: -12.652
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: 5, replica: 8
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -416.390276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.390276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.390276 (E_RNA)
where:
Base-Base interactions energy: -261.937
where: short stacking energy: -132.468
Base-Backbone interact. energy: 1.800
local terms energy: -156.253618
where:
bonds (distance) C4'-P energy: -32.006
bonds (distance) P-C4' energy: -40.376
flat angles C4'-P-C4' energy: -36.584
flat angles P-C4'-P energy: -17.740
tors. eta vs tors. theta energy: -29.548
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: 350
Temperature: 1.150000
Total energy: -359.218487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.218487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.218487 (E_RNA)
where:
Base-Base interactions energy: -214.799
where: short stacking energy: -116.582
Base-Backbone interact. energy: -0.183
local terms energy: -144.236611
where:
bonds (distance) C4'-P energy: -32.928
bonds (distance) P-C4' energy: -31.004
flat angles C4'-P-C4' energy: -28.032
flat angles P-C4'-P energy: -24.809
tors. eta vs tors. theta energy: -27.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -353.199183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.199183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.199183 (E_RNA)
where:
Base-Base interactions energy: -222.798
where: short stacking energy: -105.681
Base-Backbone interact. energy: 2.671
local terms energy: -133.071615
where:
bonds (distance) C4'-P energy: -25.518
bonds (distance) P-C4' energy: -30.658
flat angles C4'-P-C4' energy: -29.305
flat angles P-C4'-P energy: -22.748
tors. eta vs tors. theta energy: -24.842
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: 3
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -334.892342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.892342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.892342 (E_RNA)
where:
Base-Base interactions energy: -186.998
where: short stacking energy: -98.765
Base-Backbone interact. energy: -0.449
local terms energy: -147.445956
where:
bonds (distance) C4'-P energy: -35.565
bonds (distance) P-C4' energy: -39.013
flat angles C4'-P-C4' energy: -34.337
flat angles P-C4'-P energy: -17.918
tors. eta vs tors. theta energy: -20.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -301.565628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.565628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.565628 (E_RNA)
where:
Base-Base interactions energy: -181.009
where: short stacking energy: -86.236
Base-Backbone interact. energy: -0.515
local terms energy: -120.041324
where:
bonds (distance) C4'-P energy: -34.446
bonds (distance) P-C4' energy: -37.292
flat angles C4'-P-C4' energy: -22.686
flat angles P-C4'-P energy: -19.240
tors. eta vs tors. theta energy: -6.378
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: 350
Temperature: 1.350000
Total energy: -218.885402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.885402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.885402 (E_RNA)
where:
Base-Base interactions energy: -115.770
where: short stacking energy: -70.768
Base-Backbone interact. energy: -0.737
local terms energy: -102.378973
where:
bonds (distance) C4'-P energy: -23.192
bonds (distance) P-C4' energy: -31.362
flat angles C4'-P-C4' energy: -25.991
flat angles P-C4'-P energy: -10.436
tors. eta vs tors. theta energy: -11.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -563.866418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.866418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.866418 (E_RNA)
where:
Base-Base interactions energy: -368.154
where: short stacking energy: -172.691
Base-Backbone interact. energy: -0.845
local terms energy: -194.867636
where:
bonds (distance) C4'-P energy: -33.948
bonds (distance) P-C4' energy: -39.760
flat angles C4'-P-C4' energy: -38.735
flat angles P-C4'-P energy: -31.659
tors. eta vs tors. theta energy: -50.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -537.280151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.280151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.280151 (E_RNA)
where:
Base-Base interactions energy: -355.281
where: short stacking energy: -177.398
Base-Backbone interact. energy: -0.735
local terms energy: -181.264780
where:
bonds (distance) C4'-P energy: -33.898
bonds (distance) P-C4' energy: -35.689
flat angles C4'-P-C4' energy: -38.704
flat angles P-C4'-P energy: -26.258
tors. eta vs tors. theta energy: -46.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -515.046682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.046682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.046682 (E_RNA)
where:
Base-Base interactions energy: -347.399
where: short stacking energy: -156.399
Base-Backbone interact. energy: -0.539
local terms energy: -167.108999
where:
bonds (distance) C4'-P energy: -34.369
bonds (distance) P-C4' energy: -39.459
flat angles C4'-P-C4' energy: -35.837
flat angles P-C4'-P energy: -22.580
tors. eta vs tors. theta energy: -34.864
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: 4, replica: 9
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -469.870437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.870437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.870437 (E_RNA)
where:
Base-Base interactions energy: -297.368
where: short stacking energy: -157.156
Base-Backbone interact. energy: 0.042
local terms energy: -172.545003
where:
bonds (distance) C4'-P energy: -33.254
bonds (distance) P-C4' energy: -35.712
flat angles C4'-P-C4' energy: -30.492
flat angles P-C4'-P energy: -27.266
tors. eta vs tors. theta energy: -45.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -391.310397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.310397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.310397 (E_RNA)
where:
Base-Base interactions energy: -239.054
where: short stacking energy: -123.367
Base-Backbone interact. energy: -0.629
local terms energy: -151.627721
where:
bonds (distance) C4'-P energy: -36.861
bonds (distance) P-C4' energy: -34.090
flat angles C4'-P-C4' energy: -33.371
flat angles P-C4'-P energy: -17.899
tors. eta vs tors. theta energy: -29.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -394.960784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.960784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.960784 (E_RNA)
where:
Base-Base interactions energy: -244.980
where: short stacking energy: -112.672
Base-Backbone interact. energy: -0.354
local terms energy: -149.626584
where:
bonds (distance) C4'-P energy: -23.397
bonds (distance) P-C4' energy: -33.442
flat angles C4'-P-C4' energy: -35.957
flat angles P-C4'-P energy: -27.132
tors. eta vs tors. theta energy: -29.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -345.377845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.377845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.377845 (E_RNA)
where:
Base-Base interactions energy: -205.442
where: short stacking energy: -101.272
Base-Backbone interact. energy: -0.435
local terms energy: -139.500663
where:
bonds (distance) C4'-P energy: -33.215
bonds (distance) P-C4' energy: -26.762
flat angles C4'-P-C4' energy: -36.184
flat angles P-C4'-P energy: -18.887
tors. eta vs tors. theta energy: -24.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -324.223315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.223315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.223315 (E_RNA)
where:
Base-Base interactions energy: -203.580
where: short stacking energy: -101.787
Base-Backbone interact. energy: 3.045
local terms energy: -123.688086
where:
bonds (distance) C4'-P energy: -34.034
bonds (distance) P-C4' energy: -26.847
flat angles C4'-P-C4' energy: -27.359
flat angles P-C4'-P energy: -11.530
tors. eta vs tors. theta energy: -23.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -312.479511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.479511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.479511 (E_RNA)
where:
Base-Base interactions energy: -193.137
where: short stacking energy: -97.068
Base-Backbone interact. energy: 3.053
local terms energy: -122.396026
where:
bonds (distance) C4'-P energy: -33.071
bonds (distance) P-C4' energy: -37.334
flat angles C4'-P-C4' energy: -16.608
flat angles P-C4'-P energy: -16.732
tors. eta vs tors. theta energy: -18.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -201.001467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.001467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.001467 (E_RNA)
where:
Base-Base interactions energy: -95.608
where: short stacking energy: -60.568
Base-Backbone interact. energy: -0.444
local terms energy: -104.949175
where:
bonds (distance) C4'-P energy: -26.015
bonds (distance) P-C4' energy: -40.164
flat angles C4'-P-C4' energy: -29.067
flat angles P-C4'-P energy: -5.455
tors. eta vs tors. theta energy: -4.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -566.154142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.154142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.154142 (E_RNA)
where:
Base-Base interactions energy: -373.090
where: short stacking energy: -191.192
Base-Backbone interact. energy: -0.352
local terms energy: -192.712708
where:
bonds (distance) C4'-P energy: -35.016
bonds (distance) P-C4' energy: -35.502
flat angles C4'-P-C4' energy: -40.823
flat angles P-C4'-P energy: -29.314
tors. eta vs tors. theta energy: -52.057
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: 6
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -520.157374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.157374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.157374 (E_RNA)
where:
Base-Base interactions energy: -349.578
where: short stacking energy: -159.844
Base-Backbone interact. energy: -1.103
local terms energy: -169.476737
where:
bonds (distance) C4'-P energy: -30.982
bonds (distance) P-C4' energy: -31.712
flat angles C4'-P-C4' energy: -38.484
flat angles P-C4'-P energy: -27.924
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: 4
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -510.365578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.365578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.365578 (E_RNA)
where:
Base-Base interactions energy: -343.075
where: short stacking energy: -150.937
Base-Backbone interact. energy: -1.294
local terms energy: -165.996457
where:
bonds (distance) C4'-P energy: -39.367
bonds (distance) P-C4' energy: -35.169
flat angles C4'-P-C4' energy: -27.034
flat angles P-C4'-P energy: -24.965
tors. eta vs tors. theta energy: -39.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -465.077607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.077607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.077607 (E_RNA)
where:
Base-Base interactions energy: -290.438
where: short stacking energy: -154.779
Base-Backbone interact. energy: -1.230
local terms energy: -173.409302
where:
bonds (distance) C4'-P energy: -33.608
bonds (distance) P-C4' energy: -30.212
flat angles C4'-P-C4' energy: -40.633
flat angles P-C4'-P energy: -26.101
tors. eta vs tors. theta energy: -42.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -391.796292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.796292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.796292 (E_RNA)
where:
Base-Base interactions energy: -251.239
where: short stacking energy: -132.395
Base-Backbone interact. energy: -0.178
local terms energy: -140.379443
where:
bonds (distance) C4'-P energy: -37.210
bonds (distance) P-C4' energy: -24.299
flat angles C4'-P-C4' energy: -32.795
flat angles P-C4'-P energy: -18.753
tors. eta vs tors. theta energy: -27.322
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: 8
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -394.250579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.250579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.250579 (E_RNA)
where:
Base-Base interactions energy: -241.825
where: short stacking energy: -121.543
Base-Backbone interact. energy: -0.613
local terms energy: -151.812311
where:
bonds (distance) C4'-P energy: -34.843
bonds (distance) P-C4' energy: -31.948
flat angles C4'-P-C4' energy: -36.648
flat angles P-C4'-P energy: -22.467
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: 7, replica: 1
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -377.074947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.074947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.074947 (E_RNA)
where:
Base-Base interactions energy: -260.983
where: short stacking energy: -112.688
Base-Backbone interact. energy: -0.069
local terms energy: -116.022687
where:
bonds (distance) C4'-P energy: -35.266
bonds (distance) P-C4' energy: -21.668
flat angles C4'-P-C4' energy: -27.116
flat angles P-C4'-P energy: -11.374
tors. eta vs tors. theta energy: -20.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -335.385733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.385733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.385733 (E_RNA)
where:
Base-Base interactions energy: -202.423
where: short stacking energy: -101.043
Base-Backbone interact. energy: -0.259
local terms energy: -132.703676
where:
bonds (distance) C4'-P energy: -35.201
bonds (distance) P-C4' energy: -34.751
flat angles C4'-P-C4' energy: -24.924
flat angles P-C4'-P energy: -21.845
tors. eta vs tors. theta energy: -15.983
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: 3
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -308.725946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.725946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.725946 (E_RNA)
where:
Base-Base interactions energy: -197.097
where: short stacking energy: -90.631
Base-Backbone interact. energy: -1.345
local terms energy: -110.284510
where:
bonds (distance) C4'-P energy: -20.843
bonds (distance) P-C4' energy: -35.006
flat angles C4'-P-C4' energy: -24.214
flat angles P-C4'-P energy: -15.204
tors. eta vs tors. theta energy: -15.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -224.486882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.486882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.486882 (E_RNA)
where:
Base-Base interactions energy: -128.052
where: short stacking energy: -84.696
Base-Backbone interact. energy: -0.456
local terms energy: -95.978940
where:
bonds (distance) C4'-P energy: -25.161
bonds (distance) P-C4' energy: -27.925
flat angles C4'-P-C4' energy: -16.692
flat angles P-C4'-P energy: -11.301
tors. eta vs tors. theta energy: -14.900
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: 5
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -562.773808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.773808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.773808 (E_RNA)
where:
Base-Base interactions energy: -376.598
where: short stacking energy: -186.799
Base-Backbone interact. energy: -0.154
local terms energy: -186.022042
where:
bonds (distance) C4'-P energy: -33.763
bonds (distance) P-C4' energy: -32.683
flat angles C4'-P-C4' energy: -37.480
flat angles P-C4'-P energy: -29.893
tors. eta vs tors. theta energy: -52.204
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: 4
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -530.750043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.750043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.750043 (E_RNA)
where:
Base-Base interactions energy: -359.095
where: short stacking energy: -160.423
Base-Backbone interact. energy: 0.343
local terms energy: -171.997877
where:
bonds (distance) C4'-P energy: -32.196
bonds (distance) P-C4' energy: -34.095
flat angles C4'-P-C4' energy: -38.336
flat angles P-C4'-P energy: -26.846
tors. eta vs tors. theta energy: -40.525
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: 353
Temperature: 1.000000
Total energy: -528.547118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.547118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.547118 (E_RNA)
where:
Base-Base interactions energy: -360.014
where: short stacking energy: -170.004
Base-Backbone interact. energy: -0.634
local terms energy: -167.899262
where:
bonds (distance) C4'-P energy: -32.705
bonds (distance) P-C4' energy: -31.738
flat angles C4'-P-C4' energy: -40.206
flat angles P-C4'-P energy: -26.356
tors. eta vs tors. theta energy: -36.894
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: 4, replica: 2
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -446.489338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.489338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.489338 (E_RNA)
where:
Base-Base interactions energy: -282.783
where: short stacking energy: -145.976
Base-Backbone interact. energy: 0.880
local terms energy: -164.586472
where:
bonds (distance) C4'-P energy: -39.320
bonds (distance) P-C4' energy: -37.568
flat angles C4'-P-C4' energy: -36.318
flat angles P-C4'-P energy: -18.968
tors. eta vs tors. theta energy: -32.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -415.584883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.584883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.584883 (E_RNA)
where:
Base-Base interactions energy: -260.542
where: short stacking energy: -124.013
Base-Backbone interact. energy: -0.360
local terms energy: -154.682831
where:
bonds (distance) C4'-P energy: -28.690
bonds (distance) P-C4' energy: -41.037
flat angles C4'-P-C4' energy: -34.450
flat angles P-C4'-P energy: -16.636
tors. eta vs tors. theta energy: -33.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -360.712638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.712638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.712638 (E_RNA)
where:
Base-Base interactions energy: -217.484
where: short stacking energy: -118.645
Base-Backbone interact. energy: -0.315
local terms energy: -142.913268
where:
bonds (distance) C4'-P energy: -38.016
bonds (distance) P-C4' energy: -38.945
flat angles C4'-P-C4' energy: -27.051
flat angles P-C4'-P energy: -15.084
tors. eta vs tors. theta energy: -23.817
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: 1
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -341.501661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.501661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.501661 (E_RNA)
where:
Base-Base interactions energy: -208.968
where: short stacking energy: -106.722
Base-Backbone interact. energy: 0.466
local terms energy: -132.999734
where:
bonds (distance) C4'-P energy: -24.522
bonds (distance) P-C4' energy: -38.314
flat angles C4'-P-C4' energy: -37.395
flat angles P-C4'-P energy: -13.161
tors. eta vs tors. theta energy: -19.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -328.178987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.178987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.178987 (E_RNA)
where:
Base-Base interactions energy: -204.461
where: short stacking energy: -100.166
Base-Backbone interact. energy: -0.592
local terms energy: -123.125804
where:
bonds (distance) C4'-P energy: -29.968
bonds (distance) P-C4' energy: -30.751
flat angles C4'-P-C4' energy: -28.114
flat angles P-C4'-P energy: -13.217
tors. eta vs tors. theta energy: -21.076
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: 3
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -312.975402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.975402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.975402 (E_RNA)
where:
Base-Base interactions energy: -202.962
where: short stacking energy: -82.402
Base-Backbone interact. energy: -0.465
local terms energy: -109.547914
where:
bonds (distance) C4'-P energy: -27.035
bonds (distance) P-C4' energy: -31.538
flat angles C4'-P-C4' energy: -19.404
flat angles P-C4'-P energy: -20.770
tors. eta vs tors. theta energy: -10.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -286.919916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.919916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.919916 (E_RNA)
where:
Base-Base interactions energy: -171.520
where: short stacking energy: -87.135
Base-Backbone interact. energy: 1.125
local terms energy: -116.525024
where:
bonds (distance) C4'-P energy: -23.616
bonds (distance) P-C4' energy: -34.847
flat angles C4'-P-C4' energy: -25.606
flat angles P-C4'-P energy: -17.081
tors. eta vs tors. theta energy: -15.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -533.978394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.978394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.978394 (E_RNA)
where:
Base-Base interactions energy: -356.269
where: short stacking energy: -164.781
Base-Backbone interact. energy: -0.456
local terms energy: -177.253131
where:
bonds (distance) C4'-P energy: -38.012
bonds (distance) P-C4' energy: -37.174
flat angles C4'-P-C4' energy: -38.420
flat angles P-C4'-P energy: -22.780
tors. eta vs tors. theta energy: -40.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -555.535653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.535653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.535653 (E_RNA)
where:
Base-Base interactions energy: -367.802
where: short stacking energy: -184.480
Base-Backbone interact. energy: -0.055
local terms energy: -187.678447
where:
bonds (distance) C4'-P energy: -34.874
bonds (distance) P-C4' energy: -37.770
flat angles C4'-P-C4' energy: -41.207
flat angles P-C4'-P energy: -22.846
tors. eta vs tors. theta energy: -50.981
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: 6
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -525.481466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.481466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.481466 (E_RNA)
where:
Base-Base interactions energy: -354.921
where: short stacking energy: -167.121
Base-Backbone interact. energy: 1.800
local terms energy: -172.359768
where:
bonds (distance) C4'-P energy: -33.396
bonds (distance) P-C4' energy: -33.655
flat angles C4'-P-C4' energy: -34.543
flat angles P-C4'-P energy: -23.373
tors. eta vs tors. theta energy: -47.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -406.836469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.836469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.836469 (E_RNA)
where:
Base-Base interactions energy: -259.919
where: short stacking energy: -133.132
Base-Backbone interact. energy: 0.194
local terms energy: -147.111522
where:
bonds (distance) C4'-P energy: -32.918
bonds (distance) P-C4' energy: -35.238
flat angles C4'-P-C4' energy: -32.636
flat angles P-C4'-P energy: -15.626
tors. eta vs tors. theta energy: -30.693
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: 9
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -439.758703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.758703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.758703 (E_RNA)
where:
Base-Base interactions energy: -272.387
where: short stacking energy: -147.946
Base-Backbone interact. energy: -0.345
local terms energy: -167.027400
where:
bonds (distance) C4'-P energy: -31.403
bonds (distance) P-C4' energy: -40.362
flat angles C4'-P-C4' energy: -37.255
flat angles P-C4'-P energy: -17.859
tors. eta vs tors. theta energy: -40.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -377.994801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.994801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.994801 (E_RNA)
where:
Base-Base interactions energy: -237.935
where: short stacking energy: -117.121
Base-Backbone interact. energy: -0.506
local terms energy: -139.553616
where:
bonds (distance) C4'-P energy: -29.058
bonds (distance) P-C4' energy: -26.166
flat angles C4'-P-C4' energy: -34.131
flat angles P-C4'-P energy: -24.820
tors. eta vs tors. theta energy: -25.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -343.889543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.889543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.889543 (E_RNA)
where:
Base-Base interactions energy: -199.788
where: short stacking energy: -100.171
Base-Backbone interact. energy: 0.890
local terms energy: -144.991225
where:
bonds (distance) C4'-P energy: -31.835
bonds (distance) P-C4' energy: -38.053
flat angles C4'-P-C4' energy: -29.162
flat angles P-C4'-P energy: -24.681
tors. eta vs tors. theta energy: -21.260
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: 1
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -316.373276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.373276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.373276 (E_RNA)
where:
Base-Base interactions energy: -200.173
where: short stacking energy: -102.528
Base-Backbone interact. energy: 2.896
local terms energy: -119.096774
where:
bonds (distance) C4'-P energy: -19.322
bonds (distance) P-C4' energy: -35.296
flat angles C4'-P-C4' energy: -27.018
flat angles P-C4'-P energy: -18.554
tors. eta vs tors. theta energy: -18.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -301.137267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.137267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.137267 (E_RNA)
where:
Base-Base interactions energy: -192.373
where: short stacking energy: -95.021
Base-Backbone interact. energy: -0.228
local terms energy: -108.535492
where:
bonds (distance) C4'-P energy: -18.411
bonds (distance) P-C4' energy: -31.826
flat angles C4'-P-C4' energy: -26.751
flat angles P-C4'-P energy: -16.630
tors. eta vs tors. theta energy: -14.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -313.117535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.117535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.117535 (E_RNA)
where:
Base-Base interactions energy: -185.960
where: short stacking energy: -103.534
Base-Backbone interact. energy: 0.964
local terms energy: -128.121084
where:
bonds (distance) C4'-P energy: -26.869
bonds (distance) P-C4' energy: -34.210
flat angles C4'-P-C4' energy: -32.119
flat angles P-C4'-P energy: -21.130
tors. eta vs tors. theta energy: -13.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -529.481827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.481827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.481827 (E_RNA)
where:
Base-Base interactions energy: -361.897
where: short stacking energy: -168.251
Base-Backbone interact. energy: 2.082
local terms energy: -169.667133
where:
bonds (distance) C4'-P energy: -29.792
bonds (distance) P-C4' energy: -38.123
flat angles C4'-P-C4' energy: -37.614
flat angles P-C4'-P energy: -24.342
tors. eta vs tors. theta energy: -39.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -547.267591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.267591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.267591 (E_RNA)
where:
Base-Base interactions energy: -357.387
where: short stacking energy: -181.006
Base-Backbone interact. energy: -0.841
local terms energy: -189.040037
where:
bonds (distance) C4'-P energy: -34.273
bonds (distance) P-C4' energy: -38.233
flat angles C4'-P-C4' energy: -40.677
flat angles P-C4'-P energy: -23.506
tors. eta vs tors. theta energy: -52.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -524.092261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.092261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.092261 (E_RNA)
where:
Base-Base interactions energy: -357.710
where: short stacking energy: -161.258
Base-Backbone interact. energy: -0.767
local terms energy: -165.615885
where:
bonds (distance) C4'-P energy: -32.163
bonds (distance) P-C4' energy: -28.904
flat angles C4'-P-C4' energy: -36.680
flat angles P-C4'-P energy: -24.849
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: 4, replica: 9
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -459.501814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.501814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.501814 (E_RNA)
where:
Base-Base interactions energy: -297.275
where: short stacking energy: -156.107
Base-Backbone interact. energy: -0.123
local terms energy: -162.103640
where:
bonds (distance) C4'-P energy: -38.766
bonds (distance) P-C4' energy: -34.695
flat angles C4'-P-C4' energy: -37.198
flat angles P-C4'-P energy: -12.186
tors. eta vs tors. theta energy: -39.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -422.035478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.035478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.035478 (E_RNA)
where:
Base-Base interactions energy: -267.374
where: short stacking energy: -134.465
Base-Backbone interact. energy: -0.431
local terms energy: -154.230536
where:
bonds (distance) C4'-P energy: -29.982
bonds (distance) P-C4' energy: -35.731
flat angles C4'-P-C4' energy: -28.739
flat angles P-C4'-P energy: -27.151
tors. eta vs tors. theta energy: -32.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -350.948684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.948684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.948684 (E_RNA)
where:
Base-Base interactions energy: -221.303
where: short stacking energy: -105.678
Base-Backbone interact. energy: -1.149
local terms energy: -128.496691
where:
bonds (distance) C4'-P energy: -30.823
bonds (distance) P-C4' energy: -28.887
flat angles C4'-P-C4' energy: -24.333
flat angles P-C4'-P energy: -20.293
tors. eta vs tors. theta energy: -24.160
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: 7, replica: 8
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -359.561821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.561821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.561821 (E_RNA)
where:
Base-Base interactions energy: -241.811
where: short stacking energy: -103.553
Base-Backbone interact. energy: 1.275
local terms energy: -119.025435
where:
bonds (distance) C4'-P energy: -32.781
bonds (distance) P-C4' energy: -36.773
flat angles C4'-P-C4' energy: -24.422
flat angles P-C4'-P energy: -5.878
tors. eta vs tors. theta energy: -19.172
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: 10
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -357.675483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.675483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.675483 (E_RNA)
where:
Base-Base interactions energy: -229.741
where: short stacking energy: -115.724
Base-Backbone interact. energy: -0.910
local terms energy: -127.024451
where:
bonds (distance) C4'-P energy: -26.310
bonds (distance) P-C4' energy: -31.912
flat angles C4'-P-C4' energy: -29.791
flat angles P-C4'-P energy: -17.001
tors. eta vs tors. theta energy: -22.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -297.927962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.927962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.927962 (E_RNA)
where:
Base-Base interactions energy: -169.258
where: short stacking energy: -68.793
Base-Backbone interact. energy: -1.211
local terms energy: -127.458367
where:
bonds (distance) C4'-P energy: -32.246
bonds (distance) P-C4' energy: -33.067
flat angles C4'-P-C4' energy: -34.714
flat angles P-C4'-P energy: -14.896
tors. eta vs tors. theta energy: -12.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -286.420504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.420504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.420504 (E_RNA)
where:
Base-Base interactions energy: -170.915
where: short stacking energy: -77.808
Base-Backbone interact. energy: -0.065
local terms energy: -115.440408
where:
bonds (distance) C4'-P energy: -27.736
bonds (distance) P-C4' energy: -24.571
flat angles C4'-P-C4' energy: -26.272
flat angles P-C4'-P energy: -21.487
tors. eta vs tors. theta energy: -15.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -562.858840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.858840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.858840 (E_RNA)
where:
Base-Base interactions energy: -376.033
where: short stacking energy: -184.290
Base-Backbone interact. energy: 0.122
local terms energy: -186.947996
where:
bonds (distance) C4'-P energy: -32.863
bonds (distance) P-C4' energy: -32.638
flat angles C4'-P-C4' energy: -40.968
flat angles P-C4'-P energy: -24.739
tors. eta vs tors. theta energy: -55.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -535.608701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.608701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.608701 (E_RNA)
where:
Base-Base interactions energy: -354.310
where: short stacking energy: -171.740
Base-Backbone interact. energy: -0.359
local terms energy: -180.939970
where:
bonds (distance) C4'-P energy: -34.644
bonds (distance) P-C4' energy: -37.323
flat angles C4'-P-C4' energy: -38.752
flat angles P-C4'-P energy: -31.016
tors. eta vs tors. theta energy: -39.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -520.224441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.224441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.224441 (E_RNA)
where:
Base-Base interactions energy: -345.747
where: short stacking energy: -158.989
Base-Backbone interact. energy: -1.247
local terms energy: -173.229658
where:
bonds (distance) C4'-P energy: -30.640
bonds (distance) P-C4' energy: -31.957
flat angles C4'-P-C4' energy: -38.513
flat angles P-C4'-P energy: -26.505
tors. eta vs tors. theta energy: -45.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -431.539629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.539629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.539629 (E_RNA)
where:
Base-Base interactions energy: -275.959
where: short stacking energy: -136.829
Base-Backbone interact. energy: -0.209
local terms energy: -155.371764
where:
bonds (distance) C4'-P energy: -32.743
bonds (distance) P-C4' energy: -39.082
flat angles C4'-P-C4' energy: -37.806
flat angles P-C4'-P energy: -13.550
tors. eta vs tors. theta energy: -32.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -425.011398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.011398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.011398 (E_RNA)
where:
Base-Base interactions energy: -280.167
where: short stacking energy: -129.527
Base-Backbone interact. energy: -0.928
local terms energy: -143.917015
where:
bonds (distance) C4'-P energy: -28.558
bonds (distance) P-C4' energy: -29.004
flat angles C4'-P-C4' energy: -33.674
flat angles P-C4'-P energy: -24.798
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: 6, replica: 7
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -346.422094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.422094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.422094 (E_RNA)
where:
Base-Base interactions energy: -199.639
where: short stacking energy: -109.826
Base-Backbone interact. energy: -0.206
local terms energy: -146.576626
where:
bonds (distance) C4'-P energy: -36.612
bonds (distance) P-C4' energy: -24.497
flat angles C4'-P-C4' energy: -37.003
flat angles P-C4'-P energy: -23.307
tors. eta vs tors. theta energy: -25.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -382.884583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.884583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.884583 (E_RNA)
where:
Base-Base interactions energy: -236.195
where: short stacking energy: -106.011
Base-Backbone interact. energy: -0.440
local terms energy: -146.250105
where:
bonds (distance) C4'-P energy: -30.302
bonds (distance) P-C4' energy: -34.278
flat angles C4'-P-C4' energy: -35.725
flat angles P-C4'-P energy: -18.465
tors. eta vs tors. theta energy: -27.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -311.300091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.300091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.300091 (E_RNA)
where:
Base-Base interactions energy: -196.086
where: short stacking energy: -101.686
Base-Backbone interact. energy: -0.509
local terms energy: -114.704644
where:
bonds (distance) C4'-P energy: -27.906
bonds (distance) P-C4' energy: -24.509
flat angles C4'-P-C4' energy: -21.140
flat angles P-C4'-P energy: -19.333
tors. eta vs tors. theta energy: -21.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -297.267866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.267866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.267866 (E_RNA)
where:
Base-Base interactions energy: -188.443
where: short stacking energy: -81.246
Base-Backbone interact. energy: 1.281
local terms energy: -110.106413
where:
bonds (distance) C4'-P energy: -24.988
bonds (distance) P-C4' energy: -28.831
flat angles C4'-P-C4' energy: -26.523
flat angles P-C4'-P energy: -22.180
tors. eta vs tors. theta energy: -7.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -297.805115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.805115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.805115 (E_RNA)
where:
Base-Base interactions energy: -182.578
where: short stacking energy: -89.671
Base-Backbone interact. energy: 1.204
local terms energy: -116.431575
where:
bonds (distance) C4'-P energy: -27.144
bonds (distance) P-C4' energy: -35.788
flat angles C4'-P-C4' energy: -26.540
flat angles P-C4'-P energy: -15.374
tors. eta vs tors. theta energy: -11.586
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: 5
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -571.760930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.760930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.760930 (E_RNA)
where:
Base-Base interactions energy: -383.198
where: short stacking energy: -182.103
Base-Backbone interact. energy: -0.170
local terms energy: -188.393139
where:
bonds (distance) C4'-P energy: -31.813
bonds (distance) P-C4' energy: -37.791
flat angles C4'-P-C4' energy: -34.305
flat angles P-C4'-P energy: -28.268
tors. eta vs tors. theta energy: -56.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -515.194179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.194179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.194179 (E_RNA)
where:
Base-Base interactions energy: -340.690
where: short stacking energy: -154.276
Base-Backbone interact. energy: -0.472
local terms energy: -174.032105
where:
bonds (distance) C4'-P energy: -32.623
bonds (distance) P-C4' energy: -30.749
flat angles C4'-P-C4' energy: -36.654
flat angles P-C4'-P energy: -33.165
tors. eta vs tors. theta energy: -40.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -499.737382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.737382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.737382 (E_RNA)
where:
Base-Base interactions energy: -340.613
where: short stacking energy: -160.525
Base-Backbone interact. energy: -0.890
local terms energy: -158.234744
where:
bonds (distance) C4'-P energy: -31.054
bonds (distance) P-C4' energy: -28.613
flat angles C4'-P-C4' energy: -35.113
flat angles P-C4'-P energy: -26.952
tors. eta vs tors. theta energy: -36.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -433.601352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.601352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.601352 (E_RNA)
where:
Base-Base interactions energy: -276.819
where: short stacking energy: -143.535
Base-Backbone interact. energy: -0.792
local terms energy: -155.989562
where:
bonds (distance) C4'-P energy: -30.709
bonds (distance) P-C4' energy: -29.926
flat angles C4'-P-C4' energy: -31.219
flat angles P-C4'-P energy: -30.813
tors. eta vs tors. theta energy: -33.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -446.288811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.288811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.288811 (E_RNA)
where:
Base-Base interactions energy: -279.164
where: short stacking energy: -136.784
Base-Backbone interact. energy: -1.239
local terms energy: -165.884953
where:
bonds (distance) C4'-P energy: -36.712
bonds (distance) P-C4' energy: -30.258
flat angles C4'-P-C4' energy: -38.963
flat angles P-C4'-P energy: -22.076
tors. eta vs tors. theta energy: -37.877
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: 10
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -418.695522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.695522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.695522 (E_RNA)
where:
Base-Base interactions energy: -279.337
where: short stacking energy: -126.046
Base-Backbone interact. energy: -1.936
local terms energy: -137.422872
where:
bonds (distance) C4'-P energy: -31.120
bonds (distance) P-C4' energy: -23.962
flat angles C4'-P-C4' energy: -34.891
flat angles P-C4'-P energy: -16.749
tors. eta vs tors. theta energy: -30.701
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: 7, replica: 7
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -334.601098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.601098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.601098 (E_RNA)
where:
Base-Base interactions energy: -216.358
where: short stacking energy: -94.940
Base-Backbone interact. energy: 0.395
local terms energy: -118.638458
where:
bonds (distance) C4'-P energy: -26.771
bonds (distance) P-C4' energy: -27.835
flat angles C4'-P-C4' energy: -27.486
flat angles P-C4'-P energy: -22.770
tors. eta vs tors. theta energy: -13.777
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: 8
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -337.786154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.786154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.786154 (E_RNA)
where:
Base-Base interactions energy: -201.966
where: short stacking energy: -87.912
Base-Backbone interact. energy: 0.020
local terms energy: -135.840526
where:
bonds (distance) C4'-P energy: -39.864
bonds (distance) P-C4' energy: -33.584
flat angles C4'-P-C4' energy: -26.066
flat angles P-C4'-P energy: -24.335
tors. eta vs tors. theta energy: -11.991
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: 1
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -305.601273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.601273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.601273 (E_RNA)
where:
Base-Base interactions energy: -176.916
where: short stacking energy: -89.348
Base-Backbone interact. energy: -0.423
local terms energy: -128.262812
where:
bonds (distance) C4'-P energy: -34.039
bonds (distance) P-C4' energy: -29.078
flat angles C4'-P-C4' energy: -29.648
flat angles P-C4'-P energy: -15.233
tors. eta vs tors. theta energy: -20.264
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: 357
Temperature: 1.350000
Total energy: -291.748494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.748494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.748494 (E_RNA)
where:
Base-Base interactions energy: -173.013
where: short stacking energy: -70.843
Base-Backbone interact. energy: -0.622
local terms energy: -118.113079
where:
bonds (distance) C4'-P energy: -23.782
bonds (distance) P-C4' energy: -28.477
flat angles C4'-P-C4' energy: -29.617
flat angles P-C4'-P energy: -20.772
tors. eta vs tors. theta energy: -15.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -568.852903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.852903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.852903 (E_RNA)
where:
Base-Base interactions energy: -374.683
where: short stacking energy: -188.436
Base-Backbone interact. energy: -0.344
local terms energy: -193.826103
where:
bonds (distance) C4'-P energy: -32.124
bonds (distance) P-C4' energy: -34.937
flat angles C4'-P-C4' energy: -43.751
flat angles P-C4'-P energy: -25.551
tors. eta vs tors. theta energy: -57.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -516.946879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.946879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.946879 (E_RNA)
where:
Base-Base interactions energy: -346.126
where: short stacking energy: -167.443
Base-Backbone interact. energy: -0.577
local terms energy: -170.243634
where:
bonds (distance) C4'-P energy: -34.833
bonds (distance) P-C4' energy: -32.418
flat angles C4'-P-C4' energy: -36.828
flat angles P-C4'-P energy: -22.948
tors. eta vs tors. theta energy: -43.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -511.597870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.597870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.597870 (E_RNA)
where:
Base-Base interactions energy: -343.726
where: short stacking energy: -138.722
Base-Backbone interact. energy: -0.500
local terms energy: -167.372188
where:
bonds (distance) C4'-P energy: -32.360
bonds (distance) P-C4' energy: -39.579
flat angles C4'-P-C4' energy: -35.606
flat angles P-C4'-P energy: -24.355
tors. eta vs tors. theta energy: -35.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -417.498612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.498612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.498612 (E_RNA)
where:
Base-Base interactions energy: -261.736
where: short stacking energy: -107.158
Base-Backbone interact. energy: -1.181
local terms energy: -154.582051
where:
bonds (distance) C4'-P energy: -35.214
bonds (distance) P-C4' energy: -34.014
flat angles C4'-P-C4' energy: -30.646
flat angles P-C4'-P energy: -25.506
tors. eta vs tors. theta energy: -29.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -458.710889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.710889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.710889 (E_RNA)
where:
Base-Base interactions energy: -300.457
where: short stacking energy: -148.587
Base-Backbone interact. energy: -0.090
local terms energy: -158.163661
where:
bonds (distance) C4'-P energy: -29.308
bonds (distance) P-C4' energy: -33.047
flat angles C4'-P-C4' energy: -38.820
flat angles P-C4'-P energy: -20.802
tors. eta vs tors. theta energy: -36.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -427.498628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.498628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.498628 (E_RNA)
where:
Base-Base interactions energy: -277.944
where: short stacking energy: -136.229
Base-Backbone interact. energy: -0.606
local terms energy: -148.948036
where:
bonds (distance) C4'-P energy: -31.294
bonds (distance) P-C4' energy: -26.911
flat angles C4'-P-C4' energy: -32.194
flat angles P-C4'-P energy: -24.574
tors. eta vs tors. theta energy: -33.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -325.833571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.833571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.833571 (E_RNA)
where:
Base-Base interactions energy: -194.206
where: short stacking energy: -90.991
Base-Backbone interact. energy: -0.369
local terms energy: -131.258334
where:
bonds (distance) C4'-P energy: -28.665
bonds (distance) P-C4' energy: -31.737
flat angles C4'-P-C4' energy: -35.137
flat angles P-C4'-P energy: -19.949
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: 8, replica: 8
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -334.816902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.816902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.816902 (E_RNA)
where:
Base-Base interactions energy: -206.005
where: short stacking energy: -91.652
Base-Backbone interact. energy: -0.267
local terms energy: -128.544355
where:
bonds (distance) C4'-P energy: -26.937
bonds (distance) P-C4' energy: -28.527
flat angles C4'-P-C4' energy: -29.077
flat angles P-C4'-P energy: -25.768
tors. eta vs tors. theta energy: -18.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -311.818654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.818654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.818654 (E_RNA)
where:
Base-Base interactions energy: -185.427
where: short stacking energy: -79.717
Base-Backbone interact. energy: -0.692
local terms energy: -125.700204
where:
bonds (distance) C4'-P energy: -26.501
bonds (distance) P-C4' energy: -37.125
flat angles C4'-P-C4' energy: -29.187
flat angles P-C4'-P energy: -25.273
tors. eta vs tors. theta energy: -7.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -281.564196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.564196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.564196 (E_RNA)
where:
Base-Base interactions energy: -168.112
where: short stacking energy: -79.448
Base-Backbone interact. energy: -0.763
local terms energy: -112.689094
where:
bonds (distance) C4'-P energy: -24.137
bonds (distance) P-C4' energy: -27.266
flat angles C4'-P-C4' energy: -30.648
flat angles P-C4'-P energy: -19.614
tors. eta vs tors. theta energy: -11.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -566.442716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.442716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.442716 (E_RNA)
where:
Base-Base interactions energy: -371.983
where: short stacking energy: -179.538
Base-Backbone interact. energy: -0.207
local terms energy: -194.252121
where:
bonds (distance) C4'-P energy: -37.593
bonds (distance) P-C4' energy: -34.396
flat angles C4'-P-C4' energy: -42.884
flat angles P-C4'-P energy: -29.248
tors. eta vs tors. theta energy: -50.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -528.253824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.253824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.253824 (E_RNA)
where:
Base-Base interactions energy: -359.422
where: short stacking energy: -164.337
Base-Backbone interact. energy: -1.350
local terms energy: -167.481714
where:
bonds (distance) C4'-P energy: -28.876
bonds (distance) P-C4' energy: -35.985
flat angles C4'-P-C4' energy: -38.669
flat angles P-C4'-P energy: -26.736
tors. eta vs tors. theta energy: -37.215
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: 3, replica: 4
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -493.261596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.261596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.261596 (E_RNA)
where:
Base-Base interactions energy: -332.132
where: short stacking energy: -151.210
Base-Backbone interact. energy: 1.045
local terms energy: -162.174784
where:
bonds (distance) C4'-P energy: -32.870
bonds (distance) P-C4' energy: -27.130
flat angles C4'-P-C4' energy: -38.445
flat angles P-C4'-P energy: -23.002
tors. eta vs tors. theta energy: -40.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -457.454595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.454595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.454595 (E_RNA)
where:
Base-Base interactions energy: -298.308
where: short stacking energy: -164.844
Base-Backbone interact. energy: -0.262
local terms energy: -158.884762
where:
bonds (distance) C4'-P energy: -23.381
bonds (distance) P-C4' energy: -31.765
flat angles C4'-P-C4' energy: -39.266
flat angles P-C4'-P energy: -21.374
tors. eta vs tors. theta energy: -43.099
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: 2
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -431.274344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.274344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.274344 (E_RNA)
where:
Base-Base interactions energy: -294.134
where: short stacking energy: -129.796
Base-Backbone interact. energy: 0.338
local terms energy: -137.478468
where:
bonds (distance) C4'-P energy: -23.626
bonds (distance) P-C4' energy: -32.513
flat angles C4'-P-C4' energy: -37.937
flat angles P-C4'-P energy: -20.460
tors. eta vs tors. theta energy: -22.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -405.779699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.779699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.779699 (E_RNA)
where:
Base-Base interactions energy: -269.582
where: short stacking energy: -137.518
Base-Backbone interact. energy: 0.899
local terms energy: -137.096546
where:
bonds (distance) C4'-P energy: -27.278
bonds (distance) P-C4' energy: -30.853
flat angles C4'-P-C4' energy: -27.933
flat angles P-C4'-P energy: -18.788
tors. eta vs tors. theta energy: -32.245
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: 7
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -321.551702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.551702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.551702 (E_RNA)
where:
Base-Base interactions energy: -194.017
where: short stacking energy: -93.558
Base-Backbone interact. energy: 0.088
local terms energy: -127.622921
where:
bonds (distance) C4'-P energy: -27.692
bonds (distance) P-C4' energy: -32.263
flat angles C4'-P-C4' energy: -31.216
flat angles P-C4'-P energy: -24.741
tors. eta vs tors. theta energy: -11.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -322.508217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.508217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.508217 (E_RNA)
where:
Base-Base interactions energy: -195.051
where: short stacking energy: -86.054
Base-Backbone interact. energy: -0.738
local terms energy: -126.719124
where:
bonds (distance) C4'-P energy: -32.037
bonds (distance) P-C4' energy: -28.888
flat angles C4'-P-C4' energy: -26.212
flat angles P-C4'-P energy: -26.053
tors. eta vs tors. theta energy: -13.529
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: 9, replica: 3
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -294.331108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.331108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.331108 (E_RNA)
where:
Base-Base interactions energy: -176.336
where: short stacking energy: -87.688
Base-Backbone interact. energy: -1.805
local terms energy: -116.189924
where:
bonds (distance) C4'-P energy: -31.254
bonds (distance) P-C4' energy: -26.272
flat angles C4'-P-C4' energy: -16.593
flat angles P-C4'-P energy: -19.822
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: 10, replica: 1
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -290.288064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.288064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.288064 (E_RNA)
where:
Base-Base interactions energy: -176.751
where: short stacking energy: -80.959
Base-Backbone interact. energy: 0.839
local terms energy: -114.376334
where:
bonds (distance) C4'-P energy: -25.729
bonds (distance) P-C4' energy: -28.788
flat angles C4'-P-C4' energy: -24.931
flat angles P-C4'-P energy: -24.473
tors. eta vs tors. theta energy: -10.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -556.623572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.623572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.623572 (E_RNA)
where:
Base-Base interactions energy: -374.398
where: short stacking energy: -182.759
Base-Backbone interact. energy: -0.686
local terms energy: -181.539202
where:
bonds (distance) C4'-P energy: -29.615
bonds (distance) P-C4' energy: -37.935
flat angles C4'-P-C4' energy: -36.427
flat angles P-C4'-P energy: -21.910
tors. eta vs tors. theta energy: -55.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -521.733092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.733092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.733092 (E_RNA)
where:
Base-Base interactions energy: -360.018
where: short stacking energy: -158.275
Base-Backbone interact. energy: -0.080
local terms energy: -161.635445
where:
bonds (distance) C4'-P energy: -31.624
bonds (distance) P-C4' energy: -34.665
flat angles C4'-P-C4' energy: -33.161
flat angles P-C4'-P energy: -27.251
tors. eta vs tors. theta energy: -34.934
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: 4
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -485.490621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.490621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.490621 (E_RNA)
where:
Base-Base interactions energy: -331.461
where: short stacking energy: -159.165
Base-Backbone interact. energy: -1.052
local terms energy: -152.978121
where:
bonds (distance) C4'-P energy: -35.386
bonds (distance) P-C4' energy: -29.548
flat angles C4'-P-C4' energy: -35.148
flat angles P-C4'-P energy: -15.465
tors. eta vs tors. theta energy: -37.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -464.793876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.793876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.793876 (E_RNA)
where:
Base-Base interactions energy: -302.576
where: short stacking energy: -161.949
Base-Backbone interact. energy: 2.275
local terms energy: -164.493125
where:
bonds (distance) C4'-P energy: -36.633
bonds (distance) P-C4' energy: -31.695
flat angles C4'-P-C4' energy: -38.919
flat angles P-C4'-P energy: -20.634
tors. eta vs tors. theta energy: -36.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -420.829295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.829295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.829295 (E_RNA)
where:
Base-Base interactions energy: -264.581
where: short stacking energy: -132.836
Base-Backbone interact. energy: -0.623
local terms energy: -155.624663
where:
bonds (distance) C4'-P energy: -32.195
bonds (distance) P-C4' energy: -33.244
flat angles C4'-P-C4' energy: -32.378
flat angles P-C4'-P energy: -21.561
tors. eta vs tors. theta energy: -36.247
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: 2
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -420.906827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.906827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.906827 (E_RNA)
where:
Base-Base interactions energy: -271.167
where: short stacking energy: -137.634
Base-Backbone interact. energy: -1.751
local terms energy: -147.989303
where:
bonds (distance) C4'-P energy: -30.488
bonds (distance) P-C4' energy: -28.221
flat angles C4'-P-C4' energy: -39.243
flat angles P-C4'-P energy: -19.136
tors. eta vs tors. theta energy: -30.902
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: 8
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -357.764116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.764116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.764116 (E_RNA)
where:
Base-Base interactions energy: -220.614
where: short stacking energy: -122.482
Base-Backbone interact. energy: -0.376
local terms energy: -136.774677
where:
bonds (distance) C4'-P energy: -30.316
bonds (distance) P-C4' energy: -28.637
flat angles C4'-P-C4' energy: -32.436
flat angles P-C4'-P energy: -18.529
tors. eta vs tors. theta energy: -26.856
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: 7
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -315.213904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.213904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.213904 (E_RNA)
where:
Base-Base interactions energy: -195.355
where: short stacking energy: -97.303
Base-Backbone interact. energy: -0.216
local terms energy: -119.642252
where:
bonds (distance) C4'-P energy: -28.011
bonds (distance) P-C4' energy: -24.787
flat angles C4'-P-C4' energy: -30.440
flat angles P-C4'-P energy: -17.007
tors. eta vs tors. theta energy: -19.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -311.982972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.982972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.982972 (E_RNA)
where:
Base-Base interactions energy: -181.905
where: short stacking energy: -88.518
Base-Backbone interact. energy: 0.256
local terms energy: -130.334039
where:
bonds (distance) C4'-P energy: -24.873
bonds (distance) P-C4' energy: -29.604
flat angles C4'-P-C4' energy: -32.167
flat angles P-C4'-P energy: -24.924
tors. eta vs tors. theta energy: -18.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -298.608451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.608451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.608451 (E_RNA)
where:
Base-Base interactions energy: -176.583
where: short stacking energy: -88.817
Base-Backbone interact. energy: -0.350
local terms energy: -121.675565
where:
bonds (distance) C4'-P energy: -29.323
bonds (distance) P-C4' energy: -31.035
flat angles C4'-P-C4' energy: -29.426
flat angles P-C4'-P energy: -12.424
tors. eta vs tors. theta energy: -19.468
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: 5
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -548.580131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.580131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.580131 (E_RNA)
where:
Base-Base interactions energy: -376.771
where: short stacking energy: -161.737
Base-Backbone interact. energy: -0.936
local terms energy: -170.873394
where:
bonds (distance) C4'-P energy: -31.943
bonds (distance) P-C4' energy: -34.584
flat angles C4'-P-C4' energy: -36.053
flat angles P-C4'-P energy: -20.330
tors. eta vs tors. theta energy: -47.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -512.499972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.499972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.499972 (E_RNA)
where:
Base-Base interactions energy: -352.736
where: short stacking energy: -161.950
Base-Backbone interact. energy: 3.485
local terms energy: -163.249172
where:
bonds (distance) C4'-P energy: -30.768
bonds (distance) P-C4' energy: -32.439
flat angles C4'-P-C4' energy: -34.117
flat angles P-C4'-P energy: -29.971
tors. eta vs tors. theta energy: -35.954
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: 3, replica: 6
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -520.070255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.070255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.070255 (E_RNA)
where:
Base-Base interactions energy: -348.732
where: short stacking energy: -158.670
Base-Backbone interact. energy: -0.025
local terms energy: -171.312481
where:
bonds (distance) C4'-P energy: -33.478
bonds (distance) P-C4' energy: -29.322
flat angles C4'-P-C4' energy: -42.499
flat angles P-C4'-P energy: -28.542
tors. eta vs tors. theta energy: -37.471
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: 361
Temperature: 1.050000
Total energy: -460.963401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.963401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.963401 (E_RNA)
where:
Base-Base interactions energy: -288.044
where: short stacking energy: -165.992
Base-Backbone interact. energy: -0.110
local terms energy: -172.809939
where:
bonds (distance) C4'-P energy: -34.691
bonds (distance) P-C4' energy: -36.264
flat angles C4'-P-C4' energy: -37.790
flat angles P-C4'-P energy: -22.029
tors. eta vs tors. theta energy: -42.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -446.408471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.408471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.408471 (E_RNA)
where:
Base-Base interactions energy: -296.485
where: short stacking energy: -135.573
Base-Backbone interact. energy: -1.300
local terms energy: -148.623142
where:
bonds (distance) C4'-P energy: -30.264
bonds (distance) P-C4' energy: -38.265
flat angles C4'-P-C4' energy: -34.912
flat angles P-C4'-P energy: -16.205
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: 6, replica: 8
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -348.989549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.989549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.989549 (E_RNA)
where:
Base-Base interactions energy: -219.646
where: short stacking energy: -109.731
Base-Backbone interact. energy: -0.148
local terms energy: -129.195220
where:
bonds (distance) C4'-P energy: -30.320
bonds (distance) P-C4' energy: -36.902
flat angles C4'-P-C4' energy: -24.899
flat angles P-C4'-P energy: -21.302
tors. eta vs tors. theta energy: -15.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -357.562445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.562445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.562445 (E_RNA)
where:
Base-Base interactions energy: -222.751
where: short stacking energy: -96.930
Base-Backbone interact. energy: -0.387
local terms energy: -134.425368
where:
bonds (distance) C4'-P energy: -23.037
bonds (distance) P-C4' energy: -30.691
flat angles C4'-P-C4' energy: -32.019
flat angles P-C4'-P energy: -22.966
tors. eta vs tors. theta energy: -25.712
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: 3
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -307.558860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.558860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.558860 (E_RNA)
where:
Base-Base interactions energy: -188.482
where: short stacking energy: -100.713
Base-Backbone interact. energy: 0.042
local terms energy: -119.119234
where:
bonds (distance) C4'-P energy: -26.185
bonds (distance) P-C4' energy: -25.466
flat angles C4'-P-C4' energy: -30.233
flat angles P-C4'-P energy: -19.071
tors. eta vs tors. theta energy: -18.165
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: 7
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -295.931820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.931820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.931820 (E_RNA)
where:
Base-Base interactions energy: -181.250
where: short stacking energy: -83.640
Base-Backbone interact. energy: -0.654
local terms energy: -114.028022
where:
bonds (distance) C4'-P energy: -27.790
bonds (distance) P-C4' energy: -27.537
flat angles C4'-P-C4' energy: -31.101
flat angles P-C4'-P energy: -14.512
tors. eta vs tors. theta energy: -13.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -284.259279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.259279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.259279 (E_RNA)
where:
Base-Base interactions energy: -178.982
where: short stacking energy: -86.927
Base-Backbone interact. energy: -0.400
local terms energy: -104.876829
where:
bonds (distance) C4'-P energy: -23.702
bonds (distance) P-C4' energy: -22.242
flat angles C4'-P-C4' energy: -24.033
flat angles P-C4'-P energy: -18.369
tors. eta vs tors. theta energy: -16.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -560.292861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.292861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.292861 (E_RNA)
where:
Base-Base interactions energy: -376.033
where: short stacking energy: -176.790
Base-Backbone interact. energy: -0.152
local terms energy: -184.107477
where:
bonds (distance) C4'-P energy: -33.020
bonds (distance) P-C4' energy: -37.582
flat angles C4'-P-C4' energy: -40.111
flat angles P-C4'-P energy: -25.933
tors. eta vs tors. theta energy: -47.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -524.181770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.181770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.181770 (E_RNA)
where:
Base-Base interactions energy: -349.082
where: short stacking energy: -157.122
Base-Backbone interact. energy: -0.516
local terms energy: -174.583118
where:
bonds (distance) C4'-P energy: -39.419
bonds (distance) P-C4' energy: -34.034
flat angles C4'-P-C4' energy: -35.297
flat angles P-C4'-P energy: -22.508
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: 3, replica: 9
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -465.486634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.486634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.486634 (E_RNA)
where:
Base-Base interactions energy: -302.381
where: short stacking energy: -154.484
Base-Backbone interact. energy: -0.225
local terms energy: -162.880414
where:
bonds (distance) C4'-P energy: -33.152
bonds (distance) P-C4' energy: -29.546
flat angles C4'-P-C4' energy: -32.345
flat angles P-C4'-P energy: -28.436
tors. eta vs tors. theta energy: -39.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -485.018309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.018309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.018309 (E_RNA)
where:
Base-Base interactions energy: -308.738
where: short stacking energy: -134.203
Base-Backbone interact. energy: 0.183
local terms energy: -176.463278
where:
bonds (distance) C4'-P energy: -34.435
bonds (distance) P-C4' energy: -38.074
flat angles C4'-P-C4' energy: -40.220
flat angles P-C4'-P energy: -28.483
tors. eta vs tors. theta energy: -35.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -433.466503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.466503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.466503 (E_RNA)
where:
Base-Base interactions energy: -289.988
where: short stacking energy: -135.669
Base-Backbone interact. energy: 0.489
local terms energy: -143.967159
where:
bonds (distance) C4'-P energy: -34.753
bonds (distance) P-C4' energy: -25.961
flat angles C4'-P-C4' energy: -37.858
flat angles P-C4'-P energy: -12.653
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: 6, replica: 8
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -339.175933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.175933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.175933 (E_RNA)
where:
Base-Base interactions energy: -211.677
where: short stacking energy: -101.790
Base-Backbone interact. energy: -0.393
local terms energy: -127.106725
where:
bonds (distance) C4'-P energy: -28.619
bonds (distance) P-C4' energy: -29.328
flat angles C4'-P-C4' energy: -26.980
flat angles P-C4'-P energy: -18.784
tors. eta vs tors. theta energy: -23.396
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: 2
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -358.401446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.401446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.401446 (E_RNA)
where:
Base-Base interactions energy: -226.992
where: short stacking energy: -94.968
Base-Backbone interact. energy: -0.897
local terms energy: -130.511767
where:
bonds (distance) C4'-P energy: -32.849
bonds (distance) P-C4' energy: -27.972
flat angles C4'-P-C4' energy: -36.538
flat angles P-C4'-P energy: -18.463
tors. eta vs tors. theta energy: -14.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -321.278158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.278158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.278158 (E_RNA)
where:
Base-Base interactions energy: -198.366
where: short stacking energy: -110.768
Base-Backbone interact. energy: -0.111
local terms energy: -122.800709
where:
bonds (distance) C4'-P energy: -28.933
bonds (distance) P-C4' energy: -31.830
flat angles C4'-P-C4' energy: -28.886
flat angles P-C4'-P energy: -12.916
tors. eta vs tors. theta energy: -20.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -288.026923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.026923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.026923 (E_RNA)
where:
Base-Base interactions energy: -180.106
where: short stacking energy: -81.582
Base-Backbone interact. energy: -0.504
local terms energy: -107.416535
where:
bonds (distance) C4'-P energy: -26.074
bonds (distance) P-C4' energy: -29.820
flat angles C4'-P-C4' energy: -17.937
flat angles P-C4'-P energy: -20.981
tors. eta vs tors. theta energy: -12.605
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: 10, replica: 7
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -312.041848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.041848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.041848 (E_RNA)
where:
Base-Base interactions energy: -186.805
where: short stacking energy: -88.611
Base-Backbone interact. energy: -0.375
local terms energy: -124.862134
where:
bonds (distance) C4'-P energy: -32.800
bonds (distance) P-C4' energy: -37.075
flat angles C4'-P-C4' energy: -23.595
flat angles P-C4'-P energy: -18.183
tors. eta vs tors. theta energy: -13.210
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: 5
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -563.114220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.114220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.114220 (E_RNA)
where:
Base-Base interactions energy: -374.892
where: short stacking energy: -188.879
Base-Backbone interact. energy: -0.496
local terms energy: -187.726010
where:
bonds (distance) C4'-P energy: -30.760
bonds (distance) P-C4' energy: -33.153
flat angles C4'-P-C4' energy: -39.706
flat angles P-C4'-P energy: -26.914
tors. eta vs tors. theta energy: -57.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -524.934606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.934606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.934606 (E_RNA)
where:
Base-Base interactions energy: -348.959
where: short stacking energy: -161.064
Base-Backbone interact. energy: -0.649
local terms energy: -175.326835
where:
bonds (distance) C4'-P energy: -36.736
bonds (distance) P-C4' energy: -34.515
flat angles C4'-P-C4' energy: -36.847
flat angles P-C4'-P energy: -27.359
tors. eta vs tors. theta energy: -39.870
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: 9
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -457.547198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.547198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.547198 (E_RNA)
where:
Base-Base interactions energy: -291.761
where: short stacking energy: -154.507
Base-Backbone interact. energy: -0.967
local terms energy: -164.819178
where:
bonds (distance) C4'-P energy: -31.921
bonds (distance) P-C4' energy: -33.243
flat angles C4'-P-C4' energy: -36.772
flat angles P-C4'-P energy: -23.584
tors. eta vs tors. theta energy: -39.299
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: 4, replica: 6
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -482.320718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.320718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.320718 (E_RNA)
where:
Base-Base interactions energy: -315.165
where: short stacking energy: -139.296
Base-Backbone interact. energy: -0.219
local terms energy: -166.936420
where:
bonds (distance) C4'-P energy: -34.309
bonds (distance) P-C4' energy: -32.051
flat angles C4'-P-C4' energy: -35.979
flat angles P-C4'-P energy: -30.520
tors. eta vs tors. theta energy: -34.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -449.302937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.302937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.302937 (E_RNA)
where:
Base-Base interactions energy: -290.257
where: short stacking energy: -147.411
Base-Backbone interact. energy: 0.133
local terms energy: -159.178807
where:
bonds (distance) C4'-P energy: -30.501
bonds (distance) P-C4' energy: -31.864
flat angles C4'-P-C4' energy: -35.582
flat angles P-C4'-P energy: -23.999
tors. eta vs tors. theta energy: -37.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -354.410585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.410585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.410585 (E_RNA)
where:
Base-Base interactions energy: -221.695
where: short stacking energy: -120.422
Base-Backbone interact. energy: 0.033
local terms energy: -132.748835
where:
bonds (distance) C4'-P energy: -32.141
bonds (distance) P-C4' energy: -32.962
flat angles C4'-P-C4' energy: -29.920
flat angles P-C4'-P energy: -22.849
tors. eta vs tors. theta energy: -14.877
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: 2
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -357.792422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.792422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.792422 (E_RNA)
where:
Base-Base interactions energy: -223.859
where: short stacking energy: -96.456
Base-Backbone interact. energy: 1.821
local terms energy: -135.753838
where:
bonds (distance) C4'-P energy: -34.365
bonds (distance) P-C4' energy: -30.843
flat angles C4'-P-C4' energy: -32.926
flat angles P-C4'-P energy: -22.669
tors. eta vs tors. theta energy: -14.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -331.233253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.233253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.233253 (E_RNA)
where:
Base-Base interactions energy: -206.618
where: short stacking energy: -111.493
Base-Backbone interact. energy: 2.145
local terms energy: -126.760028
where:
bonds (distance) C4'-P energy: -22.890
bonds (distance) P-C4' energy: -28.936
flat angles C4'-P-C4' energy: -37.655
flat angles P-C4'-P energy: -14.836
tors. eta vs tors. theta energy: -22.444
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: 9, replica: 3
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -304.705625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.705625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.705625 (E_RNA)
where:
Base-Base interactions energy: -199.372
where: short stacking energy: -85.591
Base-Backbone interact. energy: 1.737
local terms energy: -107.070954
where:
bonds (distance) C4'-P energy: -27.442
bonds (distance) P-C4' energy: -30.850
flat angles C4'-P-C4' energy: -22.138
flat angles P-C4'-P energy: -17.409
tors. eta vs tors. theta energy: -9.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -287.619584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.619584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.619584 (E_RNA)
where:
Base-Base interactions energy: -184.483
where: short stacking energy: -81.055
Base-Backbone interact. energy: -0.586
local terms energy: -102.550103
where:
bonds (distance) C4'-P energy: -29.931
bonds (distance) P-C4' energy: -28.918
flat angles C4'-P-C4' energy: -13.089
flat angles P-C4'-P energy: -13.947
tors. eta vs tors. theta energy: -16.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -564.810686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.810686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.810686 (E_RNA)
where:
Base-Base interactions energy: -367.269
where: short stacking energy: -178.333
Base-Backbone interact. energy: -0.279
local terms energy: -197.262338
where:
bonds (distance) C4'-P energy: -35.246
bonds (distance) P-C4' energy: -39.013
flat angles C4'-P-C4' energy: -42.292
flat angles P-C4'-P energy: -28.412
tors. eta vs tors. theta energy: -52.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -499.600552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.600552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.600552 (E_RNA)
where:
Base-Base interactions energy: -333.265
where: short stacking energy: -147.689
Base-Backbone interact. energy: -0.789
local terms energy: -165.545908
where:
bonds (distance) C4'-P energy: -27.165
bonds (distance) P-C4' energy: -37.488
flat angles C4'-P-C4' energy: -41.120
flat angles P-C4'-P energy: -24.490
tors. eta vs tors. theta energy: -35.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -483.182470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.182470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.182470 (E_RNA)
where:
Base-Base interactions energy: -323.970
where: short stacking energy: -148.835
Base-Backbone interact. energy: 3.933
local terms energy: -163.145268
where:
bonds (distance) C4'-P energy: -29.180
bonds (distance) P-C4' energy: -32.697
flat angles C4'-P-C4' energy: -38.575
flat angles P-C4'-P energy: -22.080
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: 4, replica: 9
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -452.129694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.129694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.129694 (E_RNA)
where:
Base-Base interactions energy: -306.341
where: short stacking energy: -142.488
Base-Backbone interact. energy: -0.329
local terms energy: -145.459271
where:
bonds (distance) C4'-P energy: -32.637
bonds (distance) P-C4' energy: -26.708
flat angles C4'-P-C4' energy: -32.453
flat angles P-C4'-P energy: -15.878
tors. eta vs tors. theta energy: -37.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -457.751047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.751047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.751047 (E_RNA)
where:
Base-Base interactions energy: -294.363
where: short stacking energy: -160.867
Base-Backbone interact. energy: -0.133
local terms energy: -163.254905
where:
bonds (distance) C4'-P energy: -28.733
bonds (distance) P-C4' energy: -38.340
flat angles C4'-P-C4' energy: -31.169
flat angles P-C4'-P energy: -18.537
tors. eta vs tors. theta energy: -46.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -365.227525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.227525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.227525 (E_RNA)
where:
Base-Base interactions energy: -215.095
where: short stacking energy: -113.687
Base-Backbone interact. energy: -1.229
local terms energy: -148.904123
where:
bonds (distance) C4'-P energy: -30.830
bonds (distance) P-C4' energy: -32.323
flat angles C4'-P-C4' energy: -35.861
flat angles P-C4'-P energy: -23.687
tors. eta vs tors. theta energy: -26.203
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: 7, replica: 2
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -319.416777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.416777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.416777 (E_RNA)
where:
Base-Base interactions energy: -187.650
where: short stacking energy: -94.499
Base-Backbone interact. energy: 0.237
local terms energy: -132.003523
where:
bonds (distance) C4'-P energy: -31.844
bonds (distance) P-C4' energy: -33.871
flat angles C4'-P-C4' energy: -27.889
flat angles P-C4'-P energy: -24.432
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: 1
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -320.714101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.714101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.714101 (E_RNA)
where:
Base-Base interactions energy: -196.618
where: short stacking energy: -104.215
Base-Backbone interact. energy: 0.522
local terms energy: -124.618463
where:
bonds (distance) C4'-P energy: -26.999
bonds (distance) P-C4' energy: -36.172
flat angles C4'-P-C4' energy: -22.472
flat angles P-C4'-P energy: -19.395
tors. eta vs tors. theta energy: -19.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -289.858322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.858322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.858322 (E_RNA)
where:
Base-Base interactions energy: -185.210
where: short stacking energy: -86.313
Base-Backbone interact. energy: -0.225
local terms energy: -104.422813
where:
bonds (distance) C4'-P energy: -21.717
bonds (distance) P-C4' energy: -26.504
flat angles C4'-P-C4' energy: -27.749
flat angles P-C4'-P energy: -20.247
tors. eta vs tors. theta energy: -8.206
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: 7
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -279.989813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.989813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.989813 (E_RNA)
where:
Base-Base interactions energy: -171.126
where: short stacking energy: -79.660
Base-Backbone interact. energy: 2.327
local terms energy: -111.190914
where:
bonds (distance) C4'-P energy: -25.642
bonds (distance) P-C4' energy: -25.291
flat angles C4'-P-C4' energy: -25.837
flat angles P-C4'-P energy: -26.045
tors. eta vs tors. theta energy: -8.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -557.640314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.640314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.640314 (E_RNA)
where:
Base-Base interactions energy: -371.352
where: short stacking energy: -173.688
Base-Backbone interact. energy: -0.318
local terms energy: -185.970500
where:
bonds (distance) C4'-P energy: -35.332
bonds (distance) P-C4' energy: -38.440
flat angles C4'-P-C4' energy: -36.424
flat angles P-C4'-P energy: -24.276
tors. eta vs tors. theta energy: -51.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -492.607707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.607707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.607707 (E_RNA)
where:
Base-Base interactions energy: -327.257
where: short stacking energy: -153.187
Base-Backbone interact. energy: -1.065
local terms energy: -164.286366
where:
bonds (distance) C4'-P energy: -32.050
bonds (distance) P-C4' energy: -30.750
flat angles C4'-P-C4' energy: -39.843
flat angles P-C4'-P energy: -26.349
tors. eta vs tors. theta energy: -35.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -502.854370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.854370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.854370 (E_RNA)
where:
Base-Base interactions energy: -331.332
where: short stacking energy: -157.490
Base-Backbone interact. energy: -0.981
local terms energy: -170.541566
where:
bonds (distance) C4'-P energy: -33.401
bonds (distance) P-C4' energy: -32.399
flat angles C4'-P-C4' energy: -37.665
flat angles P-C4'-P energy: -26.255
tors. eta vs tors. theta energy: -40.821
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: 365
Temperature: 1.050000
Total energy: -434.178810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.178810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.178810 (E_RNA)
where:
Base-Base interactions energy: -273.226
where: short stacking energy: -142.402
Base-Backbone interact. energy: -0.509
local terms energy: -160.443678
where:
bonds (distance) C4'-P energy: -33.686
bonds (distance) P-C4' energy: -33.786
flat angles C4'-P-C4' energy: -36.871
flat angles P-C4'-P energy: -19.170
tors. eta vs tors. theta energy: -36.931
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: 10
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -450.012381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.012381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.012381 (E_RNA)
where:
Base-Base interactions energy: -296.255
where: short stacking energy: -144.775
Base-Backbone interact. energy: 0.081
local terms energy: -153.838135
where:
bonds (distance) C4'-P energy: -33.837
bonds (distance) P-C4' energy: -28.015
flat angles C4'-P-C4' energy: -27.070
flat angles P-C4'-P energy: -25.177
tors. eta vs tors. theta energy: -39.738
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: 8
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -340.253541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.253541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.253541 (E_RNA)
where:
Base-Base interactions energy: -216.710
where: short stacking energy: -106.517
Base-Backbone interact. energy: -0.390
local terms energy: -123.153305
where:
bonds (distance) C4'-P energy: -24.183
bonds (distance) P-C4' energy: -34.551
flat angles C4'-P-C4' energy: -27.673
flat angles P-C4'-P energy: -17.545
tors. eta vs tors. theta energy: -19.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -323.709810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.709810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.709810 (E_RNA)
where:
Base-Base interactions energy: -196.363
where: short stacking energy: -101.897
Base-Backbone interact. energy: 0.391
local terms energy: -127.738293
where:
bonds (distance) C4'-P energy: -32.523
bonds (distance) P-C4' energy: -31.447
flat angles C4'-P-C4' energy: -30.192
flat angles P-C4'-P energy: -18.371
tors. eta vs tors. theta energy: -15.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -292.443489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.443489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.443489 (E_RNA)
where:
Base-Base interactions energy: -192.990
where: short stacking energy: -89.965
Base-Backbone interact. energy: 3.354
local terms energy: -102.807406
where:
bonds (distance) C4'-P energy: -18.778
bonds (distance) P-C4' energy: -26.738
flat angles C4'-P-C4' energy: -23.823
flat angles P-C4'-P energy: -17.632
tors. eta vs tors. theta energy: -15.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -313.134249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.134249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.134249 (E_RNA)
where:
Base-Base interactions energy: -183.460
where: short stacking energy: -89.161
Base-Backbone interact. energy: -0.687
local terms energy: -128.987118
where:
bonds (distance) C4'-P energy: -29.497
bonds (distance) P-C4' energy: -36.139
flat angles C4'-P-C4' energy: -32.208
flat angles P-C4'-P energy: -12.286
tors. eta vs tors. theta energy: -18.857
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: 7
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -296.731810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.731810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.731810 (E_RNA)
where:
Base-Base interactions energy: -179.718
where: short stacking energy: -90.406
Base-Backbone interact. energy: -0.649
local terms energy: -116.365079
where:
bonds (distance) C4'-P energy: -29.115
bonds (distance) P-C4' energy: -31.645
flat angles C4'-P-C4' energy: -27.875
flat angles P-C4'-P energy: -14.893
tors. eta vs tors. theta energy: -12.837
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: 5
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -562.759871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.759871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.759871 (E_RNA)
where:
Base-Base interactions energy: -374.860
where: short stacking energy: -183.484
Base-Backbone interact. energy: -0.329
local terms energy: -187.570361
where:
bonds (distance) C4'-P energy: -29.521
bonds (distance) P-C4' energy: -35.348
flat angles C4'-P-C4' energy: -37.918
flat angles P-C4'-P energy: -31.578
tors. eta vs tors. theta energy: -53.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -521.042501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.042501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.042501 (E_RNA)
where:
Base-Base interactions energy: -366.723
where: short stacking energy: -155.284
Base-Backbone interact. energy: -1.419
local terms energy: -152.901328
where:
bonds (distance) C4'-P energy: -29.676
bonds (distance) P-C4' energy: -35.418
flat angles C4'-P-C4' energy: -32.418
flat angles P-C4'-P energy: -20.780
tors. eta vs tors. theta energy: -34.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -506.617222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.617222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.617222 (E_RNA)
where:
Base-Base interactions energy: -336.359
where: short stacking energy: -159.136
Base-Backbone interact. energy: -0.579
local terms energy: -169.679476
where:
bonds (distance) C4'-P energy: -30.263
bonds (distance) P-C4' energy: -35.014
flat angles C4'-P-C4' energy: -38.004
flat angles P-C4'-P energy: -32.195
tors. eta vs tors. theta energy: -34.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -446.502116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.502116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.502116 (E_RNA)
where:
Base-Base interactions energy: -287.906
where: short stacking energy: -142.280
Base-Backbone interact. energy: 0.834
local terms energy: -159.430009
where:
bonds (distance) C4'-P energy: -36.276
bonds (distance) P-C4' energy: -31.063
flat angles C4'-P-C4' energy: -37.347
flat angles P-C4'-P energy: -16.293
tors. eta vs tors. theta energy: -38.451
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: 10
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -452.477781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.477781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.477781 (E_RNA)
where:
Base-Base interactions energy: -284.360
where: short stacking energy: -149.986
Base-Backbone interact. energy: -0.145
local terms energy: -167.972742
where:
bonds (distance) C4'-P energy: -33.753
bonds (distance) P-C4' energy: -28.576
flat angles C4'-P-C4' energy: -39.849
flat angles P-C4'-P energy: -23.938
tors. eta vs tors. theta energy: -41.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -358.952456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.952456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.952456 (E_RNA)
where:
Base-Base interactions energy: -220.303
where: short stacking energy: -104.418
Base-Backbone interact. energy: -0.500
local terms energy: -138.148856
where:
bonds (distance) C4'-P energy: -29.827
bonds (distance) P-C4' energy: -31.713
flat angles C4'-P-C4' energy: -29.956
flat angles P-C4'-P energy: -23.649
tors. eta vs tors. theta energy: -23.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -320.572071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.572071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.572071 (E_RNA)
where:
Base-Base interactions energy: -199.858
where: short stacking energy: -94.443
Base-Backbone interact. energy: -0.496
local terms energy: -120.217818
where:
bonds (distance) C4'-P energy: -31.871
bonds (distance) P-C4' energy: -26.719
flat angles C4'-P-C4' energy: -25.289
flat angles P-C4'-P energy: -19.026
tors. eta vs tors. theta energy: -17.313
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: 3
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -297.032238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.032238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.032238 (E_RNA)
where:
Base-Base interactions energy: -182.786
where: short stacking energy: -84.559
Base-Backbone interact. energy: 1.347
local terms energy: -115.593726
where:
bonds (distance) C4'-P energy: -22.976
bonds (distance) P-C4' energy: -35.193
flat angles C4'-P-C4' energy: -26.899
flat angles P-C4'-P energy: -19.478
tors. eta vs tors. theta energy: -11.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -296.242912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.242912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.242912 (E_RNA)
where:
Base-Base interactions energy: -179.293
where: short stacking energy: -85.813
Base-Backbone interact. energy: 2.257
local terms energy: -119.206657
where:
bonds (distance) C4'-P energy: -21.432
bonds (distance) P-C4' energy: -40.351
flat angles C4'-P-C4' energy: -25.177
flat angles P-C4'-P energy: -18.964
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: 10, replica: 7
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -283.965781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.965781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.965781 (E_RNA)
where:
Base-Base interactions energy: -184.713
where: short stacking energy: -100.664
Base-Backbone interact. energy: -0.900
local terms energy: -98.352860
where:
bonds (distance) C4'-P energy: -28.592
bonds (distance) P-C4' energy: -25.041
flat angles C4'-P-C4' energy: -13.452
flat angles P-C4'-P energy: -14.739
tors. eta vs tors. theta energy: -16.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -567.266002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.266002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.266002 (E_RNA)
where:
Base-Base interactions energy: -377.956
where: short stacking energy: -193.615
Base-Backbone interact. energy: -0.204
local terms energy: -189.105532
where:
bonds (distance) C4'-P energy: -38.205
bonds (distance) P-C4' energy: -31.966
flat angles C4'-P-C4' energy: -37.700
flat angles P-C4'-P energy: -27.989
tors. eta vs tors. theta energy: -53.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -545.756719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.756719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.756719 (E_RNA)
where:
Base-Base interactions energy: -358.497
where: short stacking energy: -170.554
Base-Backbone interact. energy: -0.563
local terms energy: -186.696801
where:
bonds (distance) C4'-P energy: -35.124
bonds (distance) P-C4' energy: -37.729
flat angles C4'-P-C4' energy: -40.437
flat angles P-C4'-P energy: -27.695
tors. eta vs tors. theta energy: -45.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -510.743401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.743401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.743401 (E_RNA)
where:
Base-Base interactions energy: -347.213
where: short stacking energy: -164.696
Base-Backbone interact. energy: -0.564
local terms energy: -162.966382
where:
bonds (distance) C4'-P energy: -32.306
bonds (distance) P-C4' energy: -25.512
flat angles C4'-P-C4' energy: -38.544
flat angles P-C4'-P energy: -26.196
tors. eta vs tors. theta energy: -40.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -481.738727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.738727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.738727 (E_RNA)
where:
Base-Base interactions energy: -310.370
where: short stacking energy: -166.230
Base-Backbone interact. energy: -0.022
local terms energy: -171.346955
where:
bonds (distance) C4'-P energy: -33.095
bonds (distance) P-C4' energy: -34.828
flat angles C4'-P-C4' energy: -33.993
flat angles P-C4'-P energy: -23.650
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: 5, replica: 9
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -424.374711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.374711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.374711 (E_RNA)
where:
Base-Base interactions energy: -272.177
where: short stacking energy: -143.030
Base-Backbone interact. energy: -0.169
local terms energy: -152.029483
where:
bonds (distance) C4'-P energy: -32.641
bonds (distance) P-C4' energy: -32.276
flat angles C4'-P-C4' energy: -39.429
flat angles P-C4'-P energy: -10.347
tors. eta vs tors. theta energy: -37.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -357.439505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.439505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.439505 (E_RNA)
where:
Base-Base interactions energy: -221.608
where: short stacking energy: -101.618
Base-Backbone interact. energy: -1.593
local terms energy: -134.239174
where:
bonds (distance) C4'-P energy: -31.807
bonds (distance) P-C4' energy: -39.382
flat angles C4'-P-C4' energy: -27.089
flat angles P-C4'-P energy: -21.786
tors. eta vs tors. theta energy: -14.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -361.903114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.903114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.903114 (E_RNA)
where:
Base-Base interactions energy: -227.859
where: short stacking energy: -96.549
Base-Backbone interact. energy: 0.374
local terms energy: -134.418560
where:
bonds (distance) C4'-P energy: -27.153
bonds (distance) P-C4' energy: -39.575
flat angles C4'-P-C4' energy: -28.738
flat angles P-C4'-P energy: -19.108
tors. eta vs tors. theta energy: -19.845
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: 1
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -322.573884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.573884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.573884 (E_RNA)
where:
Base-Base interactions energy: -208.535
where: short stacking energy: -96.204
Base-Backbone interact. energy: -0.242
local terms energy: -113.796870
where:
bonds (distance) C4'-P energy: -30.661
bonds (distance) P-C4' energy: -26.174
flat angles C4'-P-C4' energy: -29.194
flat angles P-C4'-P energy: -15.764
tors. eta vs tors. theta energy: -12.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -303.083523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.083523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.083523 (E_RNA)
where:
Base-Base interactions energy: -193.598
where: short stacking energy: -84.151
Base-Backbone interact. energy: -0.467
local terms energy: -109.018587
where:
bonds (distance) C4'-P energy: -28.076
bonds (distance) P-C4' energy: -32.614
flat angles C4'-P-C4' energy: -30.287
flat angles P-C4'-P energy: -11.388
tors. eta vs tors. theta energy: -6.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -284.953669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.953669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.953669 (E_RNA)
where:
Base-Base interactions energy: -185.761
where: short stacking energy: -82.680
Base-Backbone interact. energy: 1.456
local terms energy: -100.647959
where:
bonds (distance) C4'-P energy: -27.993
bonds (distance) P-C4' energy: -25.179
flat angles C4'-P-C4' energy: -19.349
flat angles P-C4'-P energy: -13.480
tors. eta vs tors. theta energy: -14.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -564.742804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.742804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.742804 (E_RNA)
where:
Base-Base interactions energy: -376.721
where: short stacking energy: -189.074
Base-Backbone interact. energy: -0.808
local terms energy: -187.213891
where:
bonds (distance) C4'-P energy: -31.794
bonds (distance) P-C4' energy: -33.144
flat angles C4'-P-C4' energy: -41.349
flat angles P-C4'-P energy: -23.212
tors. eta vs tors. theta energy: -57.714
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: 2, replica: 6
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -532.320978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.320978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.320978 (E_RNA)
where:
Base-Base interactions energy: -367.805
where: short stacking energy: -168.747
Base-Backbone interact. energy: -0.501
local terms energy: -164.014767
where:
bonds (distance) C4'-P energy: -25.993
bonds (distance) P-C4' energy: -35.484
flat angles C4'-P-C4' energy: -31.150
flat angles P-C4'-P energy: -28.101
tors. eta vs tors. theta energy: -43.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -502.067113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.067113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.067113 (E_RNA)
where:
Base-Base interactions energy: -340.984
where: short stacking energy: -152.826
Base-Backbone interact. energy: -0.503
local terms energy: -160.580393
where:
bonds (distance) C4'-P energy: -23.464
bonds (distance) P-C4' energy: -25.699
flat angles C4'-P-C4' energy: -39.578
flat angles P-C4'-P energy: -31.331
tors. eta vs tors. theta energy: -40.509
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: 10
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -474.732612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.732612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.732612 (E_RNA)
where:
Base-Base interactions energy: -313.400
where: short stacking energy: -173.015
Base-Backbone interact. energy: 2.920
local terms energy: -164.252190
where:
bonds (distance) C4'-P energy: -30.294
bonds (distance) P-C4' energy: -28.278
flat angles C4'-P-C4' energy: -32.541
flat angles P-C4'-P energy: -21.011
tors. eta vs tors. theta energy: -52.128
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: 9
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -430.186488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.186488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.186488 (E_RNA)
where:
Base-Base interactions energy: -277.312
where: short stacking energy: -141.105
Base-Backbone interact. energy: -0.057
local terms energy: -152.817433
where:
bonds (distance) C4'-P energy: -26.818
bonds (distance) P-C4' energy: -35.344
flat angles C4'-P-C4' energy: -37.465
flat angles P-C4'-P energy: -16.375
tors. eta vs tors. theta energy: -36.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -360.086041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.086041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.086041 (E_RNA)
where:
Base-Base interactions energy: -216.940
where: short stacking energy: -108.614
Base-Backbone interact. energy: 0.421
local terms energy: -143.567044
where:
bonds (distance) C4'-P energy: -36.712
bonds (distance) P-C4' energy: -26.950
flat angles C4'-P-C4' energy: -36.488
flat angles P-C4'-P energy: -16.935
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: 7, replica: 1
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -334.020820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.020820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.020820 (E_RNA)
where:
Base-Base interactions energy: -206.230
where: short stacking energy: -107.422
Base-Backbone interact. energy: -0.245
local terms energy: -127.545968
where:
bonds (distance) C4'-P energy: -20.452
bonds (distance) P-C4' energy: -30.158
flat angles C4'-P-C4' energy: -28.376
flat angles P-C4'-P energy: -20.684
tors. eta vs tors. theta energy: -27.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -320.012699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.012699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.012699 (E_RNA)
where:
Base-Base interactions energy: -195.489
where: short stacking energy: -99.670
Base-Backbone interact. energy: -0.481
local terms energy: -124.042802
where:
bonds (distance) C4'-P energy: -33.713
bonds (distance) P-C4' energy: -26.205
flat angles C4'-P-C4' energy: -28.011
flat angles P-C4'-P energy: -16.749
tors. eta vs tors. theta energy: -19.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -293.107789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.107789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.107789 (E_RNA)
where:
Base-Base interactions energy: -178.825
where: short stacking energy: -85.965
Base-Backbone interact. energy: -1.066
local terms energy: -113.217045
where:
bonds (distance) C4'-P energy: -23.615
bonds (distance) P-C4' energy: -31.729
flat angles C4'-P-C4' energy: -24.780
flat angles P-C4'-P energy: -14.482
tors. eta vs tors. theta energy: -18.611
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: 3
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -276.029625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.029625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.029625 (E_RNA)
where:
Base-Base interactions energy: -160.918
where: short stacking energy: -73.104
Base-Backbone interact. energy: -0.088
local terms energy: -115.023970
where:
bonds (distance) C4'-P energy: -26.179
bonds (distance) P-C4' energy: -37.523
flat angles C4'-P-C4' energy: -29.833
flat angles P-C4'-P energy: -19.228
tors. eta vs tors. theta energy: -2.261
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: 5
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -562.485725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.485725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.485725 (E_RNA)
where:
Base-Base interactions energy: -380.959
where: short stacking energy: -185.764
Base-Backbone interact. energy: -0.335
local terms energy: -181.191655
where:
bonds (distance) C4'-P energy: -32.129
bonds (distance) P-C4' energy: -33.154
flat angles C4'-P-C4' energy: -36.015
flat angles P-C4'-P energy: -25.258
tors. eta vs tors. theta energy: -54.636
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: 6
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -528.352844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.352844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.352844 (E_RNA)
where:
Base-Base interactions energy: -364.030
where: short stacking energy: -162.031
Base-Backbone interact. energy: -0.782
local terms energy: -163.540881
where:
bonds (distance) C4'-P energy: -38.994
bonds (distance) P-C4' energy: -26.037
flat angles C4'-P-C4' energy: -32.745
flat angles P-C4'-P energy: -24.862
tors. eta vs tors. theta energy: -40.904
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: 4
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -491.633871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.633871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.633871 (E_RNA)
where:
Base-Base interactions energy: -332.703
where: short stacking energy: -146.356
Base-Backbone interact. energy: 2.044
local terms energy: -160.974869
where:
bonds (distance) C4'-P energy: -31.331
bonds (distance) P-C4' energy: -33.642
flat angles C4'-P-C4' energy: -36.871
flat angles P-C4'-P energy: -26.889
tors. eta vs tors. theta energy: -32.242
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: 4, replica: 9
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -451.667987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.667987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.667987 (E_RNA)
where:
Base-Base interactions energy: -288.320
where: short stacking energy: -154.181
Base-Backbone interact. energy: -0.240
local terms energy: -163.107782
where:
bonds (distance) C4'-P energy: -28.363
bonds (distance) P-C4' energy: -32.020
flat angles C4'-P-C4' energy: -31.618
flat angles P-C4'-P energy: -25.819
tors. eta vs tors. theta energy: -45.287
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: 5, replica: 10
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -443.494303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.494303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.494303 (E_RNA)
where:
Base-Base interactions energy: -289.745
where: short stacking energy: -137.859
Base-Backbone interact. energy: -0.357
local terms energy: -153.391615
where:
bonds (distance) C4'-P energy: -25.492
bonds (distance) P-C4' energy: -32.705
flat angles C4'-P-C4' energy: -34.474
flat angles P-C4'-P energy: -29.964
tors. eta vs tors. theta energy: -30.756
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: 369
Temperature: 1.150000
Total energy: -355.629298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.629298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.629298 (E_RNA)
where:
Base-Base interactions energy: -218.431
where: short stacking energy: -116.727
Base-Backbone interact. energy: -0.212
local terms energy: -136.986835
where:
bonds (distance) C4'-P energy: -21.395
bonds (distance) P-C4' energy: -32.222
flat angles C4'-P-C4' energy: -32.459
flat angles P-C4'-P energy: -25.353
tors. eta vs tors. theta energy: -25.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -356.214648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.214648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.214648 (E_RNA)
where:
Base-Base interactions energy: -227.221
where: short stacking energy: -110.058
Base-Backbone interact. energy: -0.024
local terms energy: -128.969106
where:
bonds (distance) C4'-P energy: -31.518
bonds (distance) P-C4' energy: -35.988
flat angles C4'-P-C4' energy: -26.525
flat angles P-C4'-P energy: -15.595
tors. eta vs tors. theta energy: -19.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -318.049867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.049867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.049867 (E_RNA)
where:
Base-Base interactions energy: -194.648
where: short stacking energy: -108.124
Base-Backbone interact. energy: 0.650
local terms energy: -124.051761
where:
bonds (distance) C4'-P energy: -23.980
bonds (distance) P-C4' energy: -35.896
flat angles C4'-P-C4' energy: -31.691
flat angles P-C4'-P energy: -19.402
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: 8
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -307.775537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.775537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.775537 (E_RNA)
where:
Base-Base interactions energy: -201.928
where: short stacking energy: -99.093
Base-Backbone interact. energy: -0.867
local terms energy: -104.980433
where:
bonds (distance) C4'-P energy: -21.663
bonds (distance) P-C4' energy: -21.475
flat angles C4'-P-C4' energy: -31.535
flat angles P-C4'-P energy: -11.875
tors. eta vs tors. theta energy: -18.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -303.649671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.649671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.649671 (E_RNA)
where:
Base-Base interactions energy: -185.920
where: short stacking energy: -86.089
Base-Backbone interact. energy: 0.379
local terms energy: -118.109030
where:
bonds (distance) C4'-P energy: -35.416
bonds (distance) P-C4' energy: -30.095
flat angles C4'-P-C4' energy: -23.004
flat angles P-C4'-P energy: -11.649
tors. eta vs tors. theta energy: -17.946
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: 5
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -575.719564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.719564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.719564 (E_RNA)
where:
Base-Base interactions energy: -377.262
where: short stacking energy: -179.436
Base-Backbone interact. energy: -0.109
local terms energy: -198.348291
where:
bonds (distance) C4'-P energy: -37.358
bonds (distance) P-C4' energy: -39.273
flat angles C4'-P-C4' energy: -35.668
flat angles P-C4'-P energy: -30.582
tors. eta vs tors. theta energy: -55.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -538.635403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.635403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.635403 (E_RNA)
where:
Base-Base interactions energy: -369.314
where: short stacking energy: -166.595
Base-Backbone interact. energy: -0.670
local terms energy: -168.651707
where:
bonds (distance) C4'-P energy: -34.760
bonds (distance) P-C4' energy: -32.876
flat angles C4'-P-C4' energy: -37.227
flat angles P-C4'-P energy: -24.246
tors. eta vs tors. theta energy: -39.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -496.529528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.529528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.529528 (E_RNA)
where:
Base-Base interactions energy: -335.180
where: short stacking energy: -150.640
Base-Backbone interact. energy: -0.196
local terms energy: -161.153571
where:
bonds (distance) C4'-P energy: -33.949
bonds (distance) P-C4' energy: -36.953
flat angles C4'-P-C4' energy: -36.873
flat angles P-C4'-P energy: -20.816
tors. eta vs tors. theta energy: -32.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -439.892146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.892146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.892146 (E_RNA)
where:
Base-Base interactions energy: -281.772
where: short stacking energy: -153.631
Base-Backbone interact. energy: -0.663
local terms energy: -157.457287
where:
bonds (distance) C4'-P energy: -29.707
bonds (distance) P-C4' energy: -34.125
flat angles C4'-P-C4' energy: -31.604
flat angles P-C4'-P energy: -23.459
tors. eta vs tors. theta energy: -38.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -416.885597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.885597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.885597 (E_RNA)
where:
Base-Base interactions energy: -263.514
where: short stacking energy: -118.130
Base-Backbone interact. energy: -0.432
local terms energy: -152.939484
where:
bonds (distance) C4'-P energy: -30.321
bonds (distance) P-C4' energy: -39.145
flat angles C4'-P-C4' energy: -35.826
flat angles P-C4'-P energy: -20.583
tors. eta vs tors. theta energy: -27.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -355.246809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.246809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.246809 (E_RNA)
where:
Base-Base interactions energy: -209.685
where: short stacking energy: -114.471
Base-Backbone interact. energy: -0.222
local terms energy: -145.340262
where:
bonds (distance) C4'-P energy: -28.945
bonds (distance) P-C4' energy: -38.674
flat angles C4'-P-C4' energy: -32.714
flat angles P-C4'-P energy: -22.409
tors. eta vs tors. theta energy: -22.598
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: 1
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -328.483064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.483064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.483064 (E_RNA)
where:
Base-Base interactions energy: -205.927
where: short stacking energy: -90.337
Base-Backbone interact. energy: 3.992
local terms energy: -126.548946
where:
bonds (distance) C4'-P energy: -24.735
bonds (distance) P-C4' energy: -32.248
flat angles C4'-P-C4' energy: -31.072
flat angles P-C4'-P energy: -24.943
tors. eta vs tors. theta energy: -13.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -324.513138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.513138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.513138 (E_RNA)
where:
Base-Base interactions energy: -199.219
where: short stacking energy: -105.081
Base-Backbone interact. energy: -0.233
local terms energy: -125.061132
where:
bonds (distance) C4'-P energy: -28.234
bonds (distance) P-C4' energy: -25.207
flat angles C4'-P-C4' energy: -34.108
flat angles P-C4'-P energy: -18.120
tors. eta vs tors. theta energy: -19.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -312.141938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.141938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.141938 (E_RNA)
where:
Base-Base interactions energy: -187.631
where: short stacking energy: -89.532
Base-Backbone interact. energy: 1.810
local terms energy: -126.321002
where:
bonds (distance) C4'-P energy: -28.854
bonds (distance) P-C4' energy: -31.698
flat angles C4'-P-C4' energy: -33.574
flat angles P-C4'-P energy: -14.324
tors. eta vs tors. theta energy: -17.870
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: 10, replica: 8
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -309.005748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.005748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.005748 (E_RNA)
where:
Base-Base interactions energy: -185.958
where: short stacking energy: -83.497
Base-Backbone interact. energy: 0.667
local terms energy: -123.715330
where:
bonds (distance) C4'-P energy: -33.896
bonds (distance) P-C4' energy: -29.276
flat angles C4'-P-C4' energy: -26.676
flat angles P-C4'-P energy: -15.706
tors. eta vs tors. theta energy: -18.162
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: 5
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -558.831132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.831132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.831132 (E_RNA)
where:
Base-Base interactions energy: -381.177
where: short stacking energy: -175.947
Base-Backbone interact. energy: -0.227
local terms energy: -177.426671
where:
bonds (distance) C4'-P energy: -29.137
bonds (distance) P-C4' energy: -33.525
flat angles C4'-P-C4' energy: -39.107
flat angles P-C4'-P energy: -23.896
tors. eta vs tors. theta energy: -51.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -551.057365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.057365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.057365 (E_RNA)
where:
Base-Base interactions energy: -381.003
where: short stacking energy: -168.521
Base-Backbone interact. energy: -0.240
local terms energy: -169.814060
where:
bonds (distance) C4'-P energy: -22.702
bonds (distance) P-C4' energy: -39.101
flat angles C4'-P-C4' energy: -38.878
flat angles P-C4'-P energy: -25.022
tors. eta vs tors. theta energy: -44.111
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: 3, replica: 4
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -495.565731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.565731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.565731 (E_RNA)
where:
Base-Base interactions energy: -337.665
where: short stacking energy: -138.152
Base-Backbone interact. energy: 0.516
local terms energy: -158.416709
where:
bonds (distance) C4'-P energy: -25.400
bonds (distance) P-C4' energy: -34.841
flat angles C4'-P-C4' energy: -32.411
flat angles P-C4'-P energy: -26.962
tors. eta vs tors. theta energy: -38.803
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: 10
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -434.890457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.890457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.890457 (E_RNA)
where:
Base-Base interactions energy: -284.990
where: short stacking energy: -142.645
Base-Backbone interact. energy: -0.127
local terms energy: -149.773318
where:
bonds (distance) C4'-P energy: -30.573
bonds (distance) P-C4' energy: -30.241
flat angles C4'-P-C4' energy: -32.308
flat angles P-C4'-P energy: -20.629
tors. eta vs tors. theta energy: -36.021
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: 9
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -418.409271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.409271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.409271 (E_RNA)
where:
Base-Base interactions energy: -263.747
where: short stacking energy: -116.394
Base-Backbone interact. energy: -0.068
local terms energy: -154.593733
where:
bonds (distance) C4'-P energy: -31.906
bonds (distance) P-C4' energy: -34.095
flat angles C4'-P-C4' energy: -38.799
flat angles P-C4'-P energy: -18.401
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: 6, replica: 1
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -351.670098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.670098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.670098 (E_RNA)
where:
Base-Base interactions energy: -210.887
where: short stacking energy: -110.057
Base-Backbone interact. energy: 1.039
local terms energy: -141.822441
where:
bonds (distance) C4'-P energy: -31.736
bonds (distance) P-C4' energy: -29.254
flat angles C4'-P-C4' energy: -35.711
flat angles P-C4'-P energy: -23.806
tors. eta vs tors. theta energy: -21.315
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: 2
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -326.908593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.908593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.908593 (E_RNA)
where:
Base-Base interactions energy: -187.129
where: short stacking energy: -90.714
Base-Backbone interact. energy: -0.362
local terms energy: -139.418031
where:
bonds (distance) C4'-P energy: -34.204
bonds (distance) P-C4' energy: -29.480
flat angles C4'-P-C4' energy: -35.381
flat angles P-C4'-P energy: -23.270
tors. eta vs tors. theta energy: -17.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -305.553023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.553023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.553023 (E_RNA)
where:
Base-Base interactions energy: -188.358
where: short stacking energy: -92.122
Base-Backbone interact. energy: 1.667
local terms energy: -118.861436
where:
bonds (distance) C4'-P energy: -28.895
bonds (distance) P-C4' energy: -26.327
flat angles C4'-P-C4' energy: -22.866
flat angles P-C4'-P energy: -26.497
tors. eta vs tors. theta energy: -14.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -309.150324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.150324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.150324 (E_RNA)
where:
Base-Base interactions energy: -178.545
where: short stacking energy: -73.312
Base-Backbone interact. energy: -0.554
local terms energy: -130.051883
where:
bonds (distance) C4'-P energy: -31.788
bonds (distance) P-C4' energy: -29.568
flat angles C4'-P-C4' energy: -33.264
flat angles P-C4'-P energy: -19.518
tors. eta vs tors. theta energy: -15.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -268.787520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.787520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.787520 (E_RNA)
where:
Base-Base interactions energy: -162.332
where: short stacking energy: -79.652
Base-Backbone interact. energy: -0.274
local terms energy: -106.182004
where:
bonds (distance) C4'-P energy: -29.479
bonds (distance) P-C4' energy: -22.042
flat angles C4'-P-C4' energy: -26.516
flat angles P-C4'-P energy: -18.898
tors. eta vs tors. theta energy: -9.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -556.175010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.175010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.175010 (E_RNA)
where:
Base-Base interactions energy: -357.587
where: short stacking energy: -178.915
Base-Backbone interact. energy: -0.144
local terms energy: -198.444622
where:
bonds (distance) C4'-P energy: -36.294
bonds (distance) P-C4' energy: -34.970
flat angles C4'-P-C4' energy: -42.708
flat angles P-C4'-P energy: -29.899
tors. eta vs tors. theta energy: -54.574
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: 6
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -538.493426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.493426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.493426 (E_RNA)
where:
Base-Base interactions energy: -356.028
where: short stacking energy: -162.162
Base-Backbone interact. energy: 0.888
local terms energy: -183.353347
where:
bonds (distance) C4'-P energy: -31.748
bonds (distance) P-C4' energy: -40.256
flat angles C4'-P-C4' energy: -36.863
flat angles P-C4'-P energy: -29.932
tors. eta vs tors. theta energy: -44.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -521.004102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.004102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.004102 (E_RNA)
where:
Base-Base interactions energy: -346.710
where: short stacking energy: -168.089
Base-Backbone interact. energy: -0.710
local terms energy: -173.583908
where:
bonds (distance) C4'-P energy: -31.880
bonds (distance) P-C4' energy: -35.277
flat angles C4'-P-C4' energy: -38.208
flat angles P-C4'-P energy: -21.586
tors. eta vs tors. theta energy: -46.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -438.750590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.750590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.750590 (E_RNA)
where:
Base-Base interactions energy: -278.120
where: short stacking energy: -136.073
Base-Backbone interact. energy: -0.727
local terms energy: -159.903986
where:
bonds (distance) C4'-P energy: -35.782
bonds (distance) P-C4' energy: -33.584
flat angles C4'-P-C4' energy: -35.478
flat angles P-C4'-P energy: -23.445
tors. eta vs tors. theta energy: -31.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -427.801742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.801742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.801742 (E_RNA)
where:
Base-Base interactions energy: -273.055
where: short stacking energy: -138.483
Base-Backbone interact. energy: -0.675
local terms energy: -154.071104
where:
bonds (distance) C4'-P energy: -28.639
bonds (distance) P-C4' energy: -35.866
flat angles C4'-P-C4' energy: -37.419
flat angles P-C4'-P energy: -18.286
tors. eta vs tors. theta energy: -33.861
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: 6, replica: 1
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -340.789468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.789468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.789468 (E_RNA)
where:
Base-Base interactions energy: -217.453
where: short stacking energy: -107.931
Base-Backbone interact. energy: 0.662
local terms energy: -123.998279
where:
bonds (distance) C4'-P energy: -23.216
bonds (distance) P-C4' energy: -32.502
flat angles C4'-P-C4' energy: -27.228
flat angles P-C4'-P energy: -18.047
tors. eta vs tors. theta energy: -23.006
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: 7, replica: 7
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -310.765876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.765876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.765876 (E_RNA)
where:
Base-Base interactions energy: -187.309
where: short stacking energy: -91.466
Base-Backbone interact. energy: -0.941
local terms energy: -122.516679
where:
bonds (distance) C4'-P energy: -32.949
bonds (distance) P-C4' energy: -31.209
flat angles C4'-P-C4' energy: -27.704
flat angles P-C4'-P energy: -18.691
tors. eta vs tors. theta energy: -11.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -306.394434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.394434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.394434 (E_RNA)
where:
Base-Base interactions energy: -203.562
where: short stacking energy: -77.247
Base-Backbone interact. energy: -0.007
local terms energy: -102.825809
where:
bonds (distance) C4'-P energy: -15.042
bonds (distance) P-C4' energy: -32.230
flat angles C4'-P-C4' energy: -28.510
flat angles P-C4'-P energy: -19.659
tors. eta vs tors. theta energy: -7.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -297.849873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.849873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.849873 (E_RNA)
where:
Base-Base interactions energy: -177.753
where: short stacking energy: -87.373
Base-Backbone interact. energy: -0.559
local terms energy: -119.537071
where:
bonds (distance) C4'-P energy: -32.659
bonds (distance) P-C4' energy: -34.649
flat angles C4'-P-C4' energy: -20.028
flat angles P-C4'-P energy: -18.704
tors. eta vs tors. theta energy: -13.497
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: 8
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -295.526504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.526504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.526504 (E_RNA)
where:
Base-Base interactions energy: -183.818
where: short stacking energy: -91.264
Base-Backbone interact. energy: -0.329
local terms energy: -111.379824
where:
bonds (distance) C4'-P energy: -21.267
bonds (distance) P-C4' energy: -24.989
flat angles C4'-P-C4' energy: -28.819
flat angles P-C4'-P energy: -22.962
tors. eta vs tors. theta energy: -13.342
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: 1, replica: 5
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -554.303459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.303459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.303459 (E_RNA)
where:
Base-Base interactions energy: -366.651
where: short stacking energy: -176.027
Base-Backbone interact. energy: -1.017
local terms energy: -186.635420
where:
bonds (distance) C4'-P energy: -32.914
bonds (distance) P-C4' energy: -36.873
flat angles C4'-P-C4' energy: -38.671
flat angles P-C4'-P energy: -27.513
tors. eta vs tors. theta energy: -50.663
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: 6
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -535.193205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.193205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.193205 (E_RNA)
where:
Base-Base interactions energy: -363.864
where: short stacking energy: -161.937
Base-Backbone interact. energy: -0.558
local terms energy: -170.771762
where:
bonds (distance) C4'-P energy: -24.390
bonds (distance) P-C4' energy: -39.642
flat angles C4'-P-C4' energy: -35.884
flat angles P-C4'-P energy: -28.411
tors. eta vs tors. theta energy: -42.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -509.129597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.129597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.129597 (E_RNA)
where:
Base-Base interactions energy: -354.182
where: short stacking energy: -154.076
Base-Backbone interact. energy: -1.551
local terms energy: -153.397010
where:
bonds (distance) C4'-P energy: -31.543
bonds (distance) P-C4' energy: -33.633
flat angles C4'-P-C4' energy: -33.114
flat angles P-C4'-P energy: -25.357
tors. eta vs tors. theta energy: -29.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -437.302442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.302442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.302442 (E_RNA)
where:
Base-Base interactions energy: -281.488
where: short stacking energy: -138.390
Base-Backbone interact. energy: -0.450
local terms energy: -155.364716
where:
bonds (distance) C4'-P energy: -29.033
bonds (distance) P-C4' energy: -29.564
flat angles C4'-P-C4' energy: -32.145
flat angles P-C4'-P energy: -27.442
tors. eta vs tors. theta energy: -37.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -439.118017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.118017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.118017 (E_RNA)
where:
Base-Base interactions energy: -285.820
where: short stacking energy: -159.167
Base-Backbone interact. energy: -0.326
local terms energy: -152.971943
where:
bonds (distance) C4'-P energy: -27.218
bonds (distance) P-C4' energy: -31.433
flat angles C4'-P-C4' energy: -35.897
flat angles P-C4'-P energy: -20.790
tors. eta vs tors. theta energy: -37.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -383.370799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.370799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.370799 (E_RNA)
where:
Base-Base interactions energy: -250.019
where: short stacking energy: -128.054
Base-Backbone interact. energy: -0.419
local terms energy: -132.932720
where:
bonds (distance) C4'-P energy: -28.523
bonds (distance) P-C4' energy: -20.723
flat angles C4'-P-C4' energy: -35.111
flat angles P-C4'-P energy: -17.935
tors. eta vs tors. theta energy: -30.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -315.426734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.426734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.426734 (E_RNA)
where:
Base-Base interactions energy: -175.549
where: short stacking energy: -86.025
Base-Backbone interact. energy: -0.419
local terms energy: -139.458745
where:
bonds (distance) C4'-P energy: -29.454
bonds (distance) P-C4' energy: -38.741
flat angles C4'-P-C4' energy: -31.129
flat angles P-C4'-P energy: -23.315
tors. eta vs tors. theta energy: -16.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -308.164238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.164238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.164238 (E_RNA)
where:
Base-Base interactions energy: -187.770
where: short stacking energy: -103.937
Base-Backbone interact. energy: -0.201
local terms energy: -120.192962
where:
bonds (distance) C4'-P energy: -25.660
bonds (distance) P-C4' energy: -24.947
flat angles C4'-P-C4' energy: -29.016
flat angles P-C4'-P energy: -21.711
tors. eta vs tors. theta energy: -18.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -297.615266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.615266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.615266 (E_RNA)
where:
Base-Base interactions energy: -174.811
where: short stacking energy: -80.216
Base-Backbone interact. energy: 1.382
local terms energy: -124.186909
where:
bonds (distance) C4'-P energy: -30.509
bonds (distance) P-C4' energy: -29.633
flat angles C4'-P-C4' energy: -32.451
flat angles P-C4'-P energy: -14.712
tors. eta vs tors. theta energy: -16.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -307.610621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.610621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.610621 (E_RNA)
where:
Base-Base interactions energy: -187.146
where: short stacking energy: -75.480
Base-Backbone interact. energy: -0.114
local terms energy: -120.350364
where:
bonds (distance) C4'-P energy: -29.891
bonds (distance) P-C4' energy: -33.247
flat angles C4'-P-C4' energy: -29.353
flat angles P-C4'-P energy: -19.107
tors. eta vs tors. theta energy: -8.752
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: 5
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -565.463311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.463311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.463311 (E_RNA)
where:
Base-Base interactions energy: -373.555
where: short stacking energy: -188.248
Base-Backbone interact. energy: -0.089
local terms energy: -191.819642
where:
bonds (distance) C4'-P energy: -31.925
bonds (distance) P-C4' energy: -34.579
flat angles C4'-P-C4' energy: -37.982
flat angles P-C4'-P energy: -32.172
tors. eta vs tors. theta energy: -55.162
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: 2, replica: 6
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -529.912647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.912647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.912647 (E_RNA)
where:
Base-Base interactions energy: -358.628
where: short stacking energy: -172.002
Base-Backbone interact. energy: 2.235
local terms energy: -173.520357
where:
bonds (distance) C4'-P energy: -36.476
bonds (distance) P-C4' energy: -38.448
flat angles C4'-P-C4' energy: -38.600
flat angles P-C4'-P energy: -20.396
tors. eta vs tors. theta energy: -39.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -510.319846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.319846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.319846 (E_RNA)
where:
Base-Base interactions energy: -352.141
where: short stacking energy: -150.954
Base-Backbone interact. energy: -0.751
local terms energy: -157.427892
where:
bonds (distance) C4'-P energy: -24.680
bonds (distance) P-C4' energy: -33.164
flat angles C4'-P-C4' energy: -37.080
flat angles P-C4'-P energy: -25.602
tors. eta vs tors. theta energy: -36.903
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: 9
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -442.278228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.278228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.278228 (E_RNA)
where:
Base-Base interactions energy: -282.114
where: short stacking energy: -144.089
Base-Backbone interact. energy: -0.742
local terms energy: -159.421852
where:
bonds (distance) C4'-P energy: -29.716
bonds (distance) P-C4' energy: -35.315
flat angles C4'-P-C4' energy: -32.751
flat angles P-C4'-P energy: -24.443
tors. eta vs tors. theta energy: -37.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -422.537575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.537575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.537575 (E_RNA)
where:
Base-Base interactions energy: -276.002
where: short stacking energy: -133.471
Base-Backbone interact. energy: 0.786
local terms energy: -147.322491
where:
bonds (distance) C4'-P energy: -35.525
bonds (distance) P-C4' energy: -34.516
flat angles C4'-P-C4' energy: -24.362
flat angles P-C4'-P energy: -25.473
tors. eta vs tors. theta energy: -27.447
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: 1
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -426.574843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.574843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.574843 (E_RNA)
where:
Base-Base interactions energy: -280.561
where: short stacking energy: -112.666
Base-Backbone interact. energy: -0.555
local terms energy: -145.458522
where:
bonds (distance) C4'-P energy: -28.855
bonds (distance) P-C4' energy: -33.395
flat angles C4'-P-C4' energy: -29.516
flat angles P-C4'-P energy: -23.964
tors. eta vs tors. theta energy: -29.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -321.805662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.805662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.805662 (E_RNA)
where:
Base-Base interactions energy: -214.830
where: short stacking energy: -108.798
Base-Backbone interact. energy: 3.062
local terms energy: -110.037261
where:
bonds (distance) C4'-P energy: -27.342
bonds (distance) P-C4' energy: -23.621
flat angles C4'-P-C4' energy: -26.626
flat angles P-C4'-P energy: -18.535
tors. eta vs tors. theta energy: -13.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -319.211611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.211611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.211611 (E_RNA)
where:
Base-Base interactions energy: -182.463
where: short stacking energy: -93.496
Base-Backbone interact. energy: -0.482
local terms energy: -136.266873
where:
bonds (distance) C4'-P energy: -29.352
bonds (distance) P-C4' energy: -34.615
flat angles C4'-P-C4' energy: -26.478
flat angles P-C4'-P energy: -27.411
tors. eta vs tors. theta energy: -18.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -311.534497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.534497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.534497 (E_RNA)
where:
Base-Base interactions energy: -200.145
where: short stacking energy: -94.969
Base-Backbone interact. energy: 1.357
local terms energy: -112.746711
where:
bonds (distance) C4'-P energy: -32.699
bonds (distance) P-C4' energy: -29.589
flat angles C4'-P-C4' energy: -19.574
flat angles P-C4'-P energy: -14.022
tors. eta vs tors. theta energy: -16.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -299.844358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.844358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.844358 (E_RNA)
where:
Base-Base interactions energy: -188.876
where: short stacking energy: -88.500
Base-Backbone interact. energy: 0.228
local terms energy: -111.195463
where:
bonds (distance) C4'-P energy: -23.140
bonds (distance) P-C4' energy: -36.343
flat angles C4'-P-C4' energy: -27.041
flat angles P-C4'-P energy: -14.711
tors. eta vs tors. theta energy: -9.960
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: 5
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -562.791101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.791101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.791101 (E_RNA)
where:
Base-Base interactions energy: -372.931
where: short stacking energy: -182.095
Base-Backbone interact. energy: -0.100
local terms energy: -189.759943
where:
bonds (distance) C4'-P energy: -34.999
bonds (distance) P-C4' energy: -37.910
flat angles C4'-P-C4' energy: -40.549
flat angles P-C4'-P energy: -23.577
tors. eta vs tors. theta energy: -52.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -532.312591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.312591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.312591 (E_RNA)
where:
Base-Base interactions energy: -352.612
where: short stacking energy: -170.998
Base-Backbone interact. energy: 1.374
local terms energy: -181.075244
where:
bonds (distance) C4'-P energy: -31.397
bonds (distance) P-C4' energy: -38.460
flat angles C4'-P-C4' energy: -38.036
flat angles P-C4'-P energy: -25.697
tors. eta vs tors. theta energy: -47.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -490.523722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.523722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.523722 (E_RNA)
where:
Base-Base interactions energy: -340.541
where: short stacking energy: -144.398
Base-Backbone interact. energy: -0.418
local terms energy: -149.564813
where:
bonds (distance) C4'-P energy: -31.518
bonds (distance) P-C4' energy: -30.811
flat angles C4'-P-C4' energy: -32.736
flat angles P-C4'-P energy: -23.787
tors. eta vs tors. theta energy: -30.713
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: 4, replica: 10
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -453.714036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.714036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.714036 (E_RNA)
where:
Base-Base interactions energy: -286.424
where: short stacking energy: -144.935
Base-Backbone interact. energy: 1.277
local terms energy: -168.567156
where:
bonds (distance) C4'-P energy: -38.513
bonds (distance) P-C4' energy: -35.623
flat angles C4'-P-C4' energy: -35.373
flat angles P-C4'-P energy: -21.139
tors. eta vs tors. theta energy: -37.920
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: 5, replica: 9
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -410.964771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.964771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.964771 (E_RNA)
where:
Base-Base interactions energy: -267.974
where: short stacking energy: -128.922
Base-Backbone interact. energy: -1.477
local terms energy: -141.514561
where:
bonds (distance) C4'-P energy: -35.420
bonds (distance) P-C4' energy: -30.654
flat angles C4'-P-C4' energy: -29.004
flat angles P-C4'-P energy: -19.155
tors. eta vs tors. theta energy: -27.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -382.783100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.783100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.783100 (E_RNA)
where:
Base-Base interactions energy: -247.472
where: short stacking energy: -109.437
Base-Backbone interact. energy: 0.969
local terms energy: -136.279919
where:
bonds (distance) C4'-P energy: -31.295
bonds (distance) P-C4' energy: -29.499
flat angles C4'-P-C4' energy: -32.520
flat angles P-C4'-P energy: -20.473
tors. eta vs tors. theta energy: -22.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -328.384277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.384277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.384277 (E_RNA)
where:
Base-Base interactions energy: -207.051
where: short stacking energy: -104.199
Base-Backbone interact. energy: -0.379
local terms energy: -120.954938
where:
bonds (distance) C4'-P energy: -30.276
bonds (distance) P-C4' energy: -27.064
flat angles C4'-P-C4' energy: -31.159
flat angles P-C4'-P energy: -23.212
tors. eta vs tors. theta energy: -9.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -308.427254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.427254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.427254 (E_RNA)
where:
Base-Base interactions energy: -183.672
where: short stacking energy: -82.519
Base-Backbone interact. energy: -0.392
local terms energy: -124.362419
where:
bonds (distance) C4'-P energy: -24.715
bonds (distance) P-C4' energy: -32.204
flat angles C4'-P-C4' energy: -33.349
flat angles P-C4'-P energy: -20.625
tors. eta vs tors. theta energy: -13.471
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: 2
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -315.065645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.065645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.065645 (E_RNA)
where:
Base-Base interactions energy: -187.610
where: short stacking energy: -101.849
Base-Backbone interact. energy: 1.219
local terms energy: -128.674906
where:
bonds (distance) C4'-P energy: -26.008
bonds (distance) P-C4' energy: -22.766
flat angles C4'-P-C4' energy: -31.733
flat angles P-C4'-P energy: -30.227
tors. eta vs tors. theta energy: -17.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -278.730068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.730068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.730068 (E_RNA)
where:
Base-Base interactions energy: -159.097
where: short stacking energy: -88.568
Base-Backbone interact. energy: -1.275
local terms energy: -118.357906
where:
bonds (distance) C4'-P energy: -25.199
bonds (distance) P-C4' energy: -25.946
flat angles C4'-P-C4' energy: -32.431
flat angles P-C4'-P energy: -16.719
tors. eta vs tors. theta energy: -18.064
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: 5
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -561.999100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.999100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.999100 (E_RNA)
where:
Base-Base interactions energy: -378.721
where: short stacking energy: -188.963
Base-Backbone interact. energy: -0.107
local terms energy: -183.170770
where:
bonds (distance) C4'-P energy: -38.246
bonds (distance) P-C4' energy: -34.003
flat angles C4'-P-C4' energy: -31.886
flat angles P-C4'-P energy: -26.014
tors. eta vs tors. theta energy: -53.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -532.114486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.114486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.114486 (E_RNA)
where:
Base-Base interactions energy: -354.685
where: short stacking energy: -159.071
Base-Backbone interact. energy: -0.400
local terms energy: -177.029709
where:
bonds (distance) C4'-P energy: -31.160
bonds (distance) P-C4' energy: -38.481
flat angles C4'-P-C4' energy: -37.941
flat angles P-C4'-P energy: -22.847
tors. eta vs tors. theta energy: -46.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -481.353625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.353625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.353625 (E_RNA)
where:
Base-Base interactions energy: -316.235
where: short stacking energy: -141.926
Base-Backbone interact. energy: 0.195
local terms energy: -165.313586
where:
bonds (distance) C4'-P energy: -33.136
bonds (distance) P-C4' energy: -34.052
flat angles C4'-P-C4' energy: -32.646
flat angles P-C4'-P energy: -24.938
tors. eta vs tors. theta energy: -40.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -465.442225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.442225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.442225 (E_RNA)
where:
Base-Base interactions energy: -294.733
where: short stacking energy: -146.286
Base-Backbone interact. energy: -0.246
local terms energy: -170.463517
where:
bonds (distance) C4'-P energy: -37.867
bonds (distance) P-C4' energy: -33.373
flat angles C4'-P-C4' energy: -31.350
flat angles P-C4'-P energy: -24.499
tors. eta vs tors. theta energy: -43.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -409.189964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.189964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.189964 (E_RNA)
where:
Base-Base interactions energy: -260.980
where: short stacking energy: -130.858
Base-Backbone interact. energy: 0.327
local terms energy: -148.536351
where:
bonds (distance) C4'-P energy: -27.719
bonds (distance) P-C4' energy: -30.147
flat angles C4'-P-C4' energy: -37.772
flat angles P-C4'-P energy: -26.408
tors. eta vs tors. theta energy: -26.490
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: 6, replica: 1
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -373.852408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.852408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.852408 (E_RNA)
where:
Base-Base interactions energy: -238.494
where: short stacking energy: -103.455
Base-Backbone interact. energy: 0.032
local terms energy: -135.391110
where:
bonds (distance) C4'-P energy: -36.956
bonds (distance) P-C4' energy: -27.611
flat angles C4'-P-C4' energy: -24.025
flat angles P-C4'-P energy: -26.816
tors. eta vs tors. theta energy: -19.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -340.656437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.656437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.656437 (E_RNA)
where:
Base-Base interactions energy: -212.488
where: short stacking energy: -100.369
Base-Backbone interact. energy: -0.789
local terms energy: -127.379960
where:
bonds (distance) C4'-P energy: -24.151
bonds (distance) P-C4' energy: -31.699
flat angles C4'-P-C4' energy: -37.962
flat angles P-C4'-P energy: -20.217
tors. eta vs tors. theta energy: -13.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -316.638275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.638275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.638275 (E_RNA)
where:
Base-Base interactions energy: -204.322
where: short stacking energy: -90.256
Base-Backbone interact. energy: 1.634
local terms energy: -113.950807
where:
bonds (distance) C4'-P energy: -22.251
bonds (distance) P-C4' energy: -28.920
flat angles C4'-P-C4' energy: -30.241
flat angles P-C4'-P energy: -18.034
tors. eta vs tors. theta energy: -14.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -292.481609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.481609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.481609 (E_RNA)
where:
Base-Base interactions energy: -168.715
where: short stacking energy: -80.696
Base-Backbone interact. energy: 0.219
local terms energy: -123.985334
where:
bonds (distance) C4'-P energy: -26.764
bonds (distance) P-C4' energy: -32.838
flat angles C4'-P-C4' energy: -25.553
flat angles P-C4'-P energy: -24.352
tors. eta vs tors. theta energy: -14.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -283.666719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.666719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.666719 (E_RNA)
where:
Base-Base interactions energy: -174.296
where: short stacking energy: -86.554
Base-Backbone interact. energy: -0.642
local terms energy: -108.729122
where:
bonds (distance) C4'-P energy: -33.601
bonds (distance) P-C4' energy: -31.717
flat angles C4'-P-C4' energy: -26.928
flat angles P-C4'-P energy: -7.501
tors. eta vs tors. theta energy: -8.981
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: 5
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -548.346554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.346554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.346554 (E_RNA)
where:
Base-Base interactions energy: -367.891
where: short stacking energy: -182.436
Base-Backbone interact. energy: -0.871
local terms energy: -179.584061
where:
bonds (distance) C4'-P energy: -35.864
bonds (distance) P-C4' energy: -28.394
flat angles C4'-P-C4' energy: -36.245
flat angles P-C4'-P energy: -30.043
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: 6
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -545.796295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.796295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.796295 (E_RNA)
where:
Base-Base interactions energy: -373.569
where: short stacking energy: -168.532
Base-Backbone interact. energy: -0.940
local terms energy: -171.287189
where:
bonds (distance) C4'-P energy: -36.472
bonds (distance) P-C4' energy: -36.517
flat angles C4'-P-C4' energy: -37.279
flat angles P-C4'-P energy: -20.324
tors. eta vs tors. theta energy: -40.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -488.027389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.027389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.027389 (E_RNA)
where:
Base-Base interactions energy: -329.609
where: short stacking energy: -142.567
Base-Backbone interact. energy: 0.341
local terms energy: -158.759461
where:
bonds (distance) C4'-P energy: -32.454
bonds (distance) P-C4' energy: -33.275
flat angles C4'-P-C4' energy: -37.408
flat angles P-C4'-P energy: -22.343
tors. eta vs tors. theta energy: -33.278
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: 9
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -407.271521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.271521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.271521 (E_RNA)
where:
Base-Base interactions energy: -257.210
where: short stacking energy: -120.210
Base-Backbone interact. energy: -0.170
local terms energy: -149.892143
where:
bonds (distance) C4'-P energy: -33.947
bonds (distance) P-C4' energy: -34.169
flat angles C4'-P-C4' energy: -32.926
flat angles P-C4'-P energy: -19.802
tors. eta vs tors. theta energy: -29.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -442.597970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.597970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.597970 (E_RNA)
where:
Base-Base interactions energy: -289.393
where: short stacking energy: -146.303
Base-Backbone interact. energy: -0.245
local terms energy: -152.959654
where:
bonds (distance) C4'-P energy: -19.669
bonds (distance) P-C4' energy: -31.373
flat angles C4'-P-C4' energy: -35.297
flat angles P-C4'-P energy: -29.126
tors. eta vs tors. theta energy: -37.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -379.176104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.176104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.176104 (E_RNA)
where:
Base-Base interactions energy: -230.066
where: short stacking energy: -109.240
Base-Backbone interact. energy: -0.687
local terms energy: -148.422497
where:
bonds (distance) C4'-P energy: -28.304
bonds (distance) P-C4' energy: -31.244
flat angles C4'-P-C4' energy: -41.245
flat angles P-C4'-P energy: -20.356
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: 7, replica: 8
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -335.309442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.309442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.309442 (E_RNA)
where:
Base-Base interactions energy: -213.439
where: short stacking energy: -95.321
Base-Backbone interact. energy: -0.884
local terms energy: -120.986143
where:
bonds (distance) C4'-P energy: -28.176
bonds (distance) P-C4' energy: -30.810
flat angles C4'-P-C4' energy: -33.134
flat angles P-C4'-P energy: -19.719
tors. eta vs tors. theta energy: -9.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -320.710305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.710305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.710305 (E_RNA)
where:
Base-Base interactions energy: -187.395
where: short stacking energy: -111.854
Base-Backbone interact. energy: -0.544
local terms energy: -132.770865
where:
bonds (distance) C4'-P energy: -33.725
bonds (distance) P-C4' energy: -30.382
flat angles C4'-P-C4' energy: -29.226
flat angles P-C4'-P energy: -22.377
tors. eta vs tors. theta energy: -17.060
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: 7
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -315.445923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.445923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.445923 (E_RNA)
where:
Base-Base interactions energy: -193.019
where: short stacking energy: -107.091
Base-Backbone interact. energy: -0.463
local terms energy: -121.963429
where:
bonds (distance) C4'-P energy: -28.252
bonds (distance) P-C4' energy: -26.396
flat angles C4'-P-C4' energy: -30.780
flat angles P-C4'-P energy: -19.007
tors. eta vs tors. theta energy: -17.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -263.308999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.308999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.308999 (E_RNA)
where:
Base-Base interactions energy: -145.403
where: short stacking energy: -71.946
Base-Backbone interact. energy: -0.988
local terms energy: -116.918760
where:
bonds (distance) C4'-P energy: -23.645
bonds (distance) P-C4' energy: -32.389
flat angles C4'-P-C4' energy: -26.838
flat angles P-C4'-P energy: -21.670
tors. eta vs tors. theta energy: -12.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -557.201523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.201523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.201523 (E_RNA)
where:
Base-Base interactions energy: -368.062
where: short stacking energy: -186.178
Base-Backbone interact. energy: -0.379
local terms energy: -188.760589
where:
bonds (distance) C4'-P energy: -32.421
bonds (distance) P-C4' energy: -34.054
flat angles C4'-P-C4' energy: -37.747
flat angles P-C4'-P energy: -28.285
tors. eta vs tors. theta energy: -56.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -519.308458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.308458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.308458 (E_RNA)
where:
Base-Base interactions energy: -347.927
where: short stacking energy: -148.442
Base-Backbone interact. energy: -0.774
local terms energy: -170.608207
where:
bonds (distance) C4'-P energy: -39.896
bonds (distance) P-C4' energy: -29.787
flat angles C4'-P-C4' energy: -35.490
flat angles P-C4'-P energy: -26.350
tors. eta vs tors. theta energy: -39.084
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: 3, replica: 4
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -501.525492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.525492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.525492 (E_RNA)
where:
Base-Base interactions energy: -332.778
where: short stacking energy: -145.169
Base-Backbone interact. energy: -0.349
local terms energy: -168.398494
where:
bonds (distance) C4'-P energy: -37.214
bonds (distance) P-C4' energy: -34.897
flat angles C4'-P-C4' energy: -34.261
flat angles P-C4'-P energy: -29.224
tors. eta vs tors. theta energy: -32.803
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: 9
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -456.612838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.612838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.612838 (E_RNA)
where:
Base-Base interactions energy: -297.492
where: short stacking energy: -165.532
Base-Backbone interact. energy: -0.043
local terms energy: -159.077604
where:
bonds (distance) C4'-P energy: -30.998
bonds (distance) P-C4' energy: -31.429
flat angles C4'-P-C4' energy: -32.367
flat angles P-C4'-P energy: -24.144
tors. eta vs tors. theta energy: -40.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -392.840932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.840932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.840932 (E_RNA)
where:
Base-Base interactions energy: -250.499
where: short stacking energy: -136.298
Base-Backbone interact. energy: -0.175
local terms energy: -142.166371
where:
bonds (distance) C4'-P energy: -28.826
bonds (distance) P-C4' energy: -28.865
flat angles C4'-P-C4' energy: -28.310
flat angles P-C4'-P energy: -19.037
tors. eta vs tors. theta energy: -37.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -404.215682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.215682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.215682 (E_RNA)
where:
Base-Base interactions energy: -274.828
where: short stacking energy: -118.900
Base-Backbone interact. energy: -0.580
local terms energy: -128.807884
where:
bonds (distance) C4'-P energy: -25.934
bonds (distance) P-C4' energy: -29.862
flat angles C4'-P-C4' energy: -25.704
flat angles P-C4'-P energy: -18.786
tors. eta vs tors. theta energy: -28.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -335.091740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.091740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.091740 (E_RNA)
where:
Base-Base interactions energy: -198.970
where: short stacking energy: -105.682
Base-Backbone interact. energy: -0.451
local terms energy: -135.670799
where:
bonds (distance) C4'-P energy: -30.822
bonds (distance) P-C4' energy: -29.755
flat angles C4'-P-C4' energy: -33.203
flat angles P-C4'-P energy: -16.316
tors. eta vs tors. theta energy: -25.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -304.927153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.927153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.927153 (E_RNA)
where:
Base-Base interactions energy: -182.504
where: short stacking energy: -93.553
Base-Backbone interact. energy: -1.805
local terms energy: -120.618315
where:
bonds (distance) C4'-P energy: -22.761
bonds (distance) P-C4' energy: -31.435
flat angles C4'-P-C4' energy: -27.541
flat angles P-C4'-P energy: -23.879
tors. eta vs tors. theta energy: -15.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -305.374114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.374114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.374114 (E_RNA)
where:
Base-Base interactions energy: -188.083
where: short stacking energy: -89.429
Base-Backbone interact. energy: -1.136
local terms energy: -116.155322
where:
bonds (distance) C4'-P energy: -29.445
bonds (distance) P-C4' energy: -36.336
flat angles C4'-P-C4' energy: -20.279
flat angles P-C4'-P energy: -23.494
tors. eta vs tors. theta energy: -6.602
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: 378
Temperature: 1.350000
Total energy: -198.607456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.607456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.607456 (E_RNA)
where:
Base-Base interactions energy: -94.028
where: short stacking energy: -67.193
Base-Backbone interact. energy: 1.116
local terms energy: -105.695189
where:
bonds (distance) C4'-P energy: -22.289
bonds (distance) P-C4' energy: -37.647
flat angles C4'-P-C4' energy: -24.662
flat angles P-C4'-P energy: -14.938
tors. eta vs tors. theta energy: -6.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -552.301932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.301932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.301932 (E_RNA)
where:
Base-Base interactions energy: -362.155
where: short stacking energy: -181.740
Base-Backbone interact. energy: 0.593
local terms energy: -190.740035
where:
bonds (distance) C4'-P energy: -40.021
bonds (distance) P-C4' energy: -33.417
flat angles C4'-P-C4' energy: -41.752
flat angles P-C4'-P energy: -22.620
tors. eta vs tors. theta energy: -52.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -530.603875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.603875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.603875 (E_RNA)
where:
Base-Base interactions energy: -355.381
where: short stacking energy: -165.377
Base-Backbone interact. energy: -0.640
local terms energy: -174.582877
where:
bonds (distance) C4'-P energy: -32.108
bonds (distance) P-C4' energy: -31.866
flat angles C4'-P-C4' energy: -39.806
flat angles P-C4'-P energy: -27.337
tors. eta vs tors. theta energy: -43.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -512.092745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.092745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.092745 (E_RNA)
where:
Base-Base interactions energy: -342.204
where: short stacking energy: -160.674
Base-Backbone interact. energy: -0.764
local terms energy: -169.124082
where:
bonds (distance) C4'-P energy: -34.304
bonds (distance) P-C4' energy: -32.522
flat angles C4'-P-C4' energy: -35.473
flat angles P-C4'-P energy: -24.318
tors. eta vs tors. theta energy: -42.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -470.395163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.395163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.395163 (E_RNA)
where:
Base-Base interactions energy: -304.246
where: short stacking energy: -156.986
Base-Backbone interact. energy: -1.059
local terms energy: -165.090093
where:
bonds (distance) C4'-P energy: -31.406
bonds (distance) P-C4' energy: -33.333
flat angles C4'-P-C4' energy: -37.535
flat angles P-C4'-P energy: -20.021
tors. eta vs tors. theta energy: -42.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -362.254966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.254966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.254966 (E_RNA)
where:
Base-Base interactions energy: -222.952
where: short stacking energy: -118.092
Base-Backbone interact. energy: 1.302
local terms energy: -140.604323
where:
bonds (distance) C4'-P energy: -31.673
bonds (distance) P-C4' energy: -29.774
flat angles C4'-P-C4' energy: -34.127
flat angles P-C4'-P energy: -19.976
tors. eta vs tors. theta energy: -25.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -416.369020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.369020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.369020 (E_RNA)
where:
Base-Base interactions energy: -264.663
where: short stacking energy: -146.751
Base-Backbone interact. energy: -0.607
local terms energy: -151.099140
where:
bonds (distance) C4'-P energy: -26.393
bonds (distance) P-C4' energy: -34.270
flat angles C4'-P-C4' energy: -37.048
flat angles P-C4'-P energy: -16.788
tors. eta vs tors. theta energy: -36.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -333.890656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.890656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.890656 (E_RNA)
where:
Base-Base interactions energy: -196.760
where: short stacking energy: -89.931
Base-Backbone interact. energy: -0.435
local terms energy: -136.696211
where:
bonds (distance) C4'-P energy: -30.865
bonds (distance) P-C4' energy: -29.598
flat angles C4'-P-C4' energy: -34.566
flat angles P-C4'-P energy: -22.709
tors. eta vs tors. theta energy: -18.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -321.830552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.830552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.830552 (E_RNA)
where:
Base-Base interactions energy: -195.678
where: short stacking energy: -105.657
Base-Backbone interact. energy: -1.066
local terms energy: -125.086559
where:
bonds (distance) C4'-P energy: -25.121
bonds (distance) P-C4' energy: -35.862
flat angles C4'-P-C4' energy: -20.229
flat angles P-C4'-P energy: -19.059
tors. eta vs tors. theta energy: -24.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -307.173941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.173941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.173941 (E_RNA)
where:
Base-Base interactions energy: -193.635
where: short stacking energy: -80.732
Base-Backbone interact. energy: -1.078
local terms energy: -112.460970
where:
bonds (distance) C4'-P energy: -27.584
bonds (distance) P-C4' energy: -25.160
flat angles C4'-P-C4' energy: -35.505
flat angles P-C4'-P energy: -16.793
tors. eta vs tors. theta energy: -7.419
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: 379
Temperature: 1.350000
Total energy: -161.007594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.007594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.007594 (E_RNA)
where:
Base-Base interactions energy: -70.398
where: short stacking energy: -46.652
Base-Backbone interact. energy: 1.757
local terms energy: -92.366192
where:
bonds (distance) C4'-P energy: -28.622
bonds (distance) P-C4' energy: -16.160
flat angles C4'-P-C4' energy: -31.516
flat angles P-C4'-P energy: -11.259
tors. eta vs tors. theta energy: -4.810
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: 5
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -555.489391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.489391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.489391 (E_RNA)
where:
Base-Base interactions energy: -361.441
where: short stacking energy: -184.017
Base-Backbone interact. energy: -0.894
local terms energy: -193.154164
where:
bonds (distance) C4'-P energy: -41.168
bonds (distance) P-C4' energy: -33.335
flat angles C4'-P-C4' energy: -40.327
flat angles P-C4'-P energy: -24.054
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: 4
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -531.766710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.766710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.766710 (E_RNA)
where:
Base-Base interactions energy: -363.604
where: short stacking energy: -162.330
Base-Backbone interact. energy: 1.781
local terms energy: -169.943961
where:
bonds (distance) C4'-P energy: -33.094
bonds (distance) P-C4' energy: -31.374
flat angles C4'-P-C4' energy: -38.330
flat angles P-C4'-P energy: -24.064
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: 3, replica: 6
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -531.781283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.781283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.781283 (E_RNA)
where:
Base-Base interactions energy: -358.990
where: short stacking energy: -170.345
Base-Backbone interact. energy: -0.843
local terms energy: -171.948565
where:
bonds (distance) C4'-P energy: -24.169
bonds (distance) P-C4' energy: -36.830
flat angles C4'-P-C4' energy: -40.400
flat angles P-C4'-P energy: -23.522
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: 4, replica: 9
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -444.285388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.285388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.285388 (E_RNA)
where:
Base-Base interactions energy: -292.224
where: short stacking energy: -143.151
Base-Backbone interact. energy: 0.326
local terms energy: -152.387913
where:
bonds (distance) C4'-P energy: -24.310
bonds (distance) P-C4' energy: -34.340
flat angles C4'-P-C4' energy: -36.578
flat angles P-C4'-P energy: -21.049
tors. eta vs tors. theta energy: -36.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -418.591320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.591320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.591320 (E_RNA)
where:
Base-Base interactions energy: -270.727
where: short stacking energy: -138.856
Base-Backbone interact. energy: -0.356
local terms energy: -147.508598
where:
bonds (distance) C4'-P energy: -28.464
bonds (distance) P-C4' energy: -31.759
flat angles C4'-P-C4' energy: -36.783
flat angles P-C4'-P energy: -21.063
tors. eta vs tors. theta energy: -29.439
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: 1
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -357.216922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.216922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.216922 (E_RNA)
where:
Base-Base interactions energy: -208.754
where: short stacking energy: -115.044
Base-Backbone interact. energy: -0.475
local terms energy: -147.987645
where:
bonds (distance) C4'-P energy: -26.685
bonds (distance) P-C4' energy: -36.550
flat angles C4'-P-C4' energy: -35.605
flat angles P-C4'-P energy: -23.442
tors. eta vs tors. theta energy: -25.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -358.932385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.932385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.932385 (E_RNA)
where:
Base-Base interactions energy: -220.630
where: short stacking energy: -125.245
Base-Backbone interact. energy: 0.059
local terms energy: -138.361573
where:
bonds (distance) C4'-P energy: -27.207
bonds (distance) P-C4' energy: -28.425
flat angles C4'-P-C4' energy: -33.613
flat angles P-C4'-P energy: -19.708
tors. eta vs tors. theta energy: -29.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -320.430870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.430870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.430870 (E_RNA)
where:
Base-Base interactions energy: -182.071
where: short stacking energy: -97.769
Base-Backbone interact. energy: -0.244
local terms energy: -138.115580
where:
bonds (distance) C4'-P energy: -30.157
bonds (distance) P-C4' energy: -37.488
flat angles C4'-P-C4' energy: -36.255
flat angles P-C4'-P energy: -19.805
tors. eta vs tors. theta energy: -14.410
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: 7
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -331.895897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.895897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.895897 (E_RNA)
where:
Base-Base interactions energy: -208.002
where: short stacking energy: -108.192
Base-Backbone interact. energy: -0.352
local terms energy: -123.541910
where:
bonds (distance) C4'-P energy: -28.507
bonds (distance) P-C4' energy: -38.558
flat angles C4'-P-C4' energy: -25.632
flat angles P-C4'-P energy: -14.808
tors. eta vs tors. theta energy: -16.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -150.813395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.813395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.813395 (E_RNA)
where:
Base-Base interactions energy: -53.464
where: short stacking energy: -53.464
Base-Backbone interact. energy: 0.330
local terms energy: -97.678882
where:
bonds (distance) C4'-P energy: -33.904
bonds (distance) P-C4' energy: -30.816
flat angles C4'-P-C4' energy: -17.791
flat angles P-C4'-P energy: -14.652
tors. eta vs tors. theta energy: -0.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -546.021724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.021724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.021724 (E_RNA)
where:
Base-Base interactions energy: -354.301
where: short stacking energy: -184.770
Base-Backbone interact. energy: -0.705
local terms energy: -191.015822
where:
bonds (distance) C4'-P energy: -35.919
bonds (distance) P-C4' energy: -36.677
flat angles C4'-P-C4' energy: -39.029
flat angles P-C4'-P energy: -26.277
tors. eta vs tors. theta energy: -53.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -540.719348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.719348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.719348 (E_RNA)
where:
Base-Base interactions energy: -361.415
where: short stacking energy: -167.511
Base-Backbone interact. energy: -0.634
local terms energy: -178.669727
where:
bonds (distance) C4'-P energy: -34.258
bonds (distance) P-C4' energy: -36.039
flat angles C4'-P-C4' energy: -37.547
flat angles P-C4'-P energy: -24.696
tors. eta vs tors. theta energy: -46.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -513.072769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.072769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.072769 (E_RNA)
where:
Base-Base interactions energy: -349.415
where: short stacking energy: -164.106
Base-Backbone interact. energy: 1.544
local terms energy: -165.201457
where:
bonds (distance) C4'-P energy: -27.682
bonds (distance) P-C4' energy: -37.894
flat angles C4'-P-C4' energy: -39.445
flat angles P-C4'-P energy: -18.476
tors. eta vs tors. theta energy: -41.705
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: 10
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -461.452810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.452810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.452810 (E_RNA)
where:
Base-Base interactions energy: -293.720
where: short stacking energy: -147.317
Base-Backbone interact. energy: -0.110
local terms energy: -167.623305
where:
bonds (distance) C4'-P energy: -34.631
bonds (distance) P-C4' energy: -30.844
flat angles C4'-P-C4' energy: -37.477
flat angles P-C4'-P energy: -22.683
tors. eta vs tors. theta energy: -41.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -436.244955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.244955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.244955 (E_RNA)
where:
Base-Base interactions energy: -278.885
where: short stacking energy: -138.189
Base-Backbone interact. energy: -0.136
local terms energy: -157.224173
where:
bonds (distance) C4'-P energy: -25.166
bonds (distance) P-C4' energy: -36.750
flat angles C4'-P-C4' energy: -38.559
flat angles P-C4'-P energy: -22.986
tors. eta vs tors. theta energy: -33.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -353.383488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.383488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.383488 (E_RNA)
where:
Base-Base interactions energy: -215.785
where: short stacking energy: -121.705
Base-Backbone interact. energy: -0.214
local terms energy: -137.385327
where:
bonds (distance) C4'-P energy: -33.474
bonds (distance) P-C4' energy: -29.883
flat angles C4'-P-C4' energy: -26.125
flat angles P-C4'-P energy: -21.555
tors. eta vs tors. theta energy: -26.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -349.845895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.845895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.845895 (E_RNA)
where:
Base-Base interactions energy: -210.290
where: short stacking energy: -109.478
Base-Backbone interact. energy: -0.450
local terms energy: -139.105991
where:
bonds (distance) C4'-P energy: -33.736
bonds (distance) P-C4' energy: -35.245
flat angles C4'-P-C4' energy: -27.440
flat angles P-C4'-P energy: -22.395
tors. eta vs tors. theta energy: -20.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -325.588077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.588077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.588077 (E_RNA)
where:
Base-Base interactions energy: -192.118
where: short stacking energy: -86.114
Base-Backbone interact. energy: 0.417
local terms energy: -133.887101
where:
bonds (distance) C4'-P energy: -34.422
bonds (distance) P-C4' energy: -32.386
flat angles C4'-P-C4' energy: -33.074
flat angles P-C4'-P energy: -15.332
tors. eta vs tors. theta energy: -18.672
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: 9, replica: 2
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -310.983469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.983469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.983469 (E_RNA)
where:
Base-Base interactions energy: -196.857
where: short stacking energy: -100.095
Base-Backbone interact. energy: -0.486
local terms energy: -113.640942
where:
bonds (distance) C4'-P energy: -18.672
bonds (distance) P-C4' energy: -21.625
flat angles C4'-P-C4' energy: -29.064
flat angles P-C4'-P energy: -21.348
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: 10, replica: 3
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -221.033986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.033986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.033986 (E_RNA)
where:
Base-Base interactions energy: -126.001
where: short stacking energy: -61.320
Base-Backbone interact. energy: 0.954
local terms energy: -95.986922
where:
bonds (distance) C4'-P energy: -34.691
bonds (distance) P-C4' energy: -24.644
flat angles C4'-P-C4' energy: -18.427
flat angles P-C4'-P energy: -9.686
tors. eta vs tors. theta energy: -8.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -545.690604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.690604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.690604 (E_RNA)
where:
Base-Base interactions energy: -374.835
where: short stacking energy: -169.107
Base-Backbone interact. energy: -0.466
local terms energy: -170.389199
where:
bonds (distance) C4'-P energy: -21.495
bonds (distance) P-C4' energy: -37.703
flat angles C4'-P-C4' energy: -36.774
flat angles P-C4'-P energy: -28.698
tors. eta vs tors. theta energy: -45.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -529.880578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.880578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.880578 (E_RNA)
where:
Base-Base interactions energy: -346.505
where: short stacking energy: -178.287
Base-Backbone interact. energy: -0.111
local terms energy: -183.264725
where:
bonds (distance) C4'-P energy: -30.714
bonds (distance) P-C4' energy: -37.413
flat angles C4'-P-C4' energy: -38.228
flat angles P-C4'-P energy: -29.473
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: 3, replica: 4
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -501.424839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.424839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.424839 (E_RNA)
where:
Base-Base interactions energy: -333.770
where: short stacking energy: -145.547
Base-Backbone interact. energy: -0.305
local terms energy: -167.349804
where:
bonds (distance) C4'-P energy: -34.256
bonds (distance) P-C4' energy: -31.688
flat angles C4'-P-C4' energy: -37.533
flat angles P-C4'-P energy: -26.931
tors. eta vs tors. theta energy: -36.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -466.169947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.169947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.169947 (E_RNA)
where:
Base-Base interactions energy: -293.635
where: short stacking energy: -151.221
Base-Backbone interact. energy: -0.149
local terms energy: -172.385527
where:
bonds (distance) C4'-P energy: -32.684
bonds (distance) P-C4' energy: -37.253
flat angles C4'-P-C4' energy: -36.112
flat angles P-C4'-P energy: -27.426
tors. eta vs tors. theta energy: -38.910
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: 9
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -421.758555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.758555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.758555 (E_RNA)
where:
Base-Base interactions energy: -268.010
where: short stacking energy: -132.963
Base-Backbone interact. energy: -0.581
local terms energy: -153.167684
where:
bonds (distance) C4'-P energy: -28.290
bonds (distance) P-C4' energy: -28.986
flat angles C4'-P-C4' energy: -38.480
flat angles P-C4'-P energy: -19.614
tors. eta vs tors. theta energy: -37.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -333.796088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.796088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.796088 (E_RNA)
where:
Base-Base interactions energy: -200.720
where: short stacking energy: -98.136
Base-Backbone interact. energy: 1.117
local terms energy: -134.193494
where:
bonds (distance) C4'-P energy: -31.974
bonds (distance) P-C4' energy: -27.238
flat angles C4'-P-C4' energy: -31.449
flat angles P-C4'-P energy: -26.720
tors. eta vs tors. theta energy: -16.812
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: 8
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -359.953896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.953896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.953896 (E_RNA)
where:
Base-Base interactions energy: -228.511
where: short stacking energy: -105.384
Base-Backbone interact. energy: -1.543
local terms energy: -129.900614
where:
bonds (distance) C4'-P energy: -29.845
bonds (distance) P-C4' energy: -27.037
flat angles C4'-P-C4' energy: -30.576
flat angles P-C4'-P energy: -18.062
tors. eta vs tors. theta energy: -24.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -322.622114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.622114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.622114 (E_RNA)
where:
Base-Base interactions energy: -188.828
where: short stacking energy: -82.177
Base-Backbone interact. energy: -0.935
local terms energy: -132.859107
where:
bonds (distance) C4'-P energy: -29.051
bonds (distance) P-C4' energy: -35.270
flat angles C4'-P-C4' energy: -30.117
flat angles P-C4'-P energy: -21.190
tors. eta vs tors. theta energy: -17.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -308.403824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.403824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.403824 (E_RNA)
where:
Base-Base interactions energy: -172.699
where: short stacking energy: -77.548
Base-Backbone interact. energy: -0.576
local terms energy: -135.129272
where:
bonds (distance) C4'-P energy: -26.662
bonds (distance) P-C4' energy: -37.996
flat angles C4'-P-C4' energy: -33.872
flat angles P-C4'-P energy: -20.113
tors. eta vs tors. theta energy: -16.487
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: 382
Temperature: 1.350000
Total energy: -224.332162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.332162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.332162 (E_RNA)
where:
Base-Base interactions energy: -112.923
where: short stacking energy: -68.018
Base-Backbone interact. energy: 0.514
local terms energy: -111.923346
where:
bonds (distance) C4'-P energy: -24.848
bonds (distance) P-C4' energy: -28.553
flat angles C4'-P-C4' energy: -23.647
flat angles P-C4'-P energy: -24.611
tors. eta vs tors. theta energy: -10.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -553.588666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.588666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.588666 (E_RNA)
where:
Base-Base interactions energy: -379.898
where: short stacking energy: -178.238
Base-Backbone interact. energy: -0.395
local terms energy: -173.295321
where:
bonds (distance) C4'-P energy: -33.184
bonds (distance) P-C4' energy: -35.174
flat angles C4'-P-C4' energy: -35.841
flat angles P-C4'-P energy: -22.127
tors. eta vs tors. theta energy: -46.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -530.212632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.212632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.212632 (E_RNA)
where:
Base-Base interactions energy: -355.928
where: short stacking energy: -161.536
Base-Backbone interact. energy: -0.837
local terms energy: -173.447670
where:
bonds (distance) C4'-P energy: -30.806
bonds (distance) P-C4' energy: -36.466
flat angles C4'-P-C4' energy: -36.980
flat angles P-C4'-P energy: -28.061
tors. eta vs tors. theta energy: -41.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -492.992345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.992345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.992345 (E_RNA)
where:
Base-Base interactions energy: -318.035
where: short stacking energy: -153.121
Base-Backbone interact. energy: -0.688
local terms energy: -174.268582
where:
bonds (distance) C4'-P energy: -34.953
bonds (distance) P-C4' energy: -33.843
flat angles C4'-P-C4' energy: -39.800
flat angles P-C4'-P energy: -26.345
tors. eta vs tors. theta energy: -39.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -435.346216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.346216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.346216 (E_RNA)
where:
Base-Base interactions energy: -282.001
where: short stacking energy: -137.476
Base-Backbone interact. energy: 0.388
local terms energy: -153.734134
where:
bonds (distance) C4'-P energy: -36.891
bonds (distance) P-C4' energy: -31.610
flat angles C4'-P-C4' energy: -26.213
flat angles P-C4'-P energy: -25.102
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: 5, replica: 10
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -413.446206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.446206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.446206 (E_RNA)
where:
Base-Base interactions energy: -246.425
where: short stacking energy: -120.981
Base-Backbone interact. energy: 1.151
local terms energy: -168.172805
where:
bonds (distance) C4'-P energy: -28.847
bonds (distance) P-C4' energy: -36.934
flat angles C4'-P-C4' energy: -40.092
flat angles P-C4'-P energy: -26.198
tors. eta vs tors. theta energy: -36.103
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: 8
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -386.832332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.832332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.832332 (E_RNA)
where:
Base-Base interactions energy: -235.596
where: short stacking energy: -120.518
Base-Backbone interact. energy: -0.726
local terms energy: -150.510983
where:
bonds (distance) C4'-P energy: -31.038
bonds (distance) P-C4' energy: -31.314
flat angles C4'-P-C4' energy: -33.575
flat angles P-C4'-P energy: -21.478
tors. eta vs tors. theta energy: -33.106
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: 1
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -343.353249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.353249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.353249 (E_RNA)
where:
Base-Base interactions energy: -206.921
where: short stacking energy: -114.865
Base-Backbone interact. energy: 2.914
local terms energy: -139.346912
where:
bonds (distance) C4'-P energy: -29.315
bonds (distance) P-C4' energy: -30.503
flat angles C4'-P-C4' energy: -34.047
flat angles P-C4'-P energy: -20.199
tors. eta vs tors. theta energy: -25.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -337.835603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.835603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.835603 (E_RNA)
where:
Base-Base interactions energy: -205.307
where: short stacking energy: -113.234
Base-Backbone interact. energy: -0.299
local terms energy: -132.229274
where:
bonds (distance) C4'-P energy: -26.086
bonds (distance) P-C4' energy: -30.852
flat angles C4'-P-C4' energy: -31.590
flat angles P-C4'-P energy: -22.555
tors. eta vs tors. theta energy: -21.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -294.866425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.866425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.866425 (E_RNA)
where:
Base-Base interactions energy: -170.609
where: short stacking energy: -75.462
Base-Backbone interact. energy: -0.697
local terms energy: -123.559828
where:
bonds (distance) C4'-P energy: -37.544
bonds (distance) P-C4' energy: -33.310
flat angles C4'-P-C4' energy: -24.920
flat angles P-C4'-P energy: -17.030
tors. eta vs tors. theta energy: -10.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -204.520681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.520681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.520681 (E_RNA)
where:
Base-Base interactions energy: -100.584
where: short stacking energy: -64.163
Base-Backbone interact. energy: 0.061
local terms energy: -103.998024
where:
bonds (distance) C4'-P energy: -34.413
bonds (distance) P-C4' energy: -27.785
flat angles C4'-P-C4' energy: -28.192
flat angles P-C4'-P energy: -5.442
tors. eta vs tors. theta energy: -8.166
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: 4
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -546.676997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.676997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.676997 (E_RNA)
where:
Base-Base interactions energy: -365.642
where: short stacking energy: -171.037
Base-Backbone interact. energy: -0.395
local terms energy: -180.639961
where:
bonds (distance) C4'-P energy: -33.267
bonds (distance) P-C4' energy: -34.135
flat angles C4'-P-C4' energy: -39.902
flat angles P-C4'-P energy: -30.703
tors. eta vs tors. theta energy: -42.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -519.046486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.046486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.046486 (E_RNA)
where:
Base-Base interactions energy: -359.103
where: short stacking energy: -163.431
Base-Backbone interact. energy: -0.349
local terms energy: -159.593977
where:
bonds (distance) C4'-P energy: -32.114
bonds (distance) P-C4' energy: -36.045
flat angles C4'-P-C4' energy: -34.341
flat angles P-C4'-P energy: -20.810
tors. eta vs tors. theta energy: -36.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -495.304939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.304939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.304939 (E_RNA)
where:
Base-Base interactions energy: -320.512
where: short stacking energy: -158.249
Base-Backbone interact. energy: -1.038
local terms energy: -173.754676
where:
bonds (distance) C4'-P energy: -38.575
bonds (distance) P-C4' energy: -28.925
flat angles C4'-P-C4' energy: -38.989
flat angles P-C4'-P energy: -20.291
tors. eta vs tors. theta energy: -46.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -426.393318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.393318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.393318 (E_RNA)
where:
Base-Base interactions energy: -273.876
where: short stacking energy: -138.124
Base-Backbone interact. energy: 0.085
local terms energy: -152.601957
where:
bonds (distance) C4'-P energy: -32.106
bonds (distance) P-C4' energy: -33.364
flat angles C4'-P-C4' energy: -33.276
flat angles P-C4'-P energy: -24.671
tors. eta vs tors. theta energy: -29.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -427.995126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.995126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.995126 (E_RNA)
where:
Base-Base interactions energy: -276.962
where: short stacking energy: -133.992
Base-Backbone interact. energy: -1.083
local terms energy: -149.949447
where:
bonds (distance) C4'-P energy: -25.394
bonds (distance) P-C4' energy: -36.564
flat angles C4'-P-C4' energy: -34.116
flat angles P-C4'-P energy: -16.765
tors. eta vs tors. theta energy: -37.110
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: 8
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -361.889038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.889038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.889038 (E_RNA)
where:
Base-Base interactions energy: -232.495
where: short stacking energy: -107.073
Base-Backbone interact. energy: -0.863
local terms energy: -128.530303
where:
bonds (distance) C4'-P energy: -32.507
bonds (distance) P-C4' energy: -33.244
flat angles C4'-P-C4' energy: -29.620
flat angles P-C4'-P energy: -11.301
tors. eta vs tors. theta energy: -21.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -318.011602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.011602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.011602 (E_RNA)
where:
Base-Base interactions energy: -187.399
where: short stacking energy: -105.788
Base-Backbone interact. energy: -0.575
local terms energy: -130.037494
where:
bonds (distance) C4'-P energy: -25.594
bonds (distance) P-C4' energy: -32.095
flat angles C4'-P-C4' energy: -34.894
flat angles P-C4'-P energy: -18.354
tors. eta vs tors. theta energy: -19.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -326.541322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.541322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.541322 (E_RNA)
where:
Base-Base interactions energy: -189.762
where: short stacking energy: -97.166
Base-Backbone interact. energy: -0.290
local terms energy: -136.489607
where:
bonds (distance) C4'-P energy: -30.404
bonds (distance) P-C4' energy: -32.251
flat angles C4'-P-C4' energy: -34.920
flat angles P-C4'-P energy: -20.747
tors. eta vs tors. theta energy: -18.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -262.782471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.782471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.782471 (E_RNA)
where:
Base-Base interactions energy: -151.473
where: short stacking energy: -65.655
Base-Backbone interact. energy: -0.104
local terms energy: -111.205521
where:
bonds (distance) C4'-P energy: -32.025
bonds (distance) P-C4' energy: -23.545
flat angles C4'-P-C4' energy: -35.388
flat angles P-C4'-P energy: -20.032
tors. eta vs tors. theta energy: -0.216
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: 384
Temperature: 1.350000
Total energy: -165.549696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.549696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.549696 (E_RNA)
where:
Base-Base interactions energy: -47.445
where: short stacking energy: -37.275
Base-Backbone interact. energy: -0.272
local terms energy: -117.832386
where:
bonds (distance) C4'-P energy: -38.799
bonds (distance) P-C4' energy: -36.637
flat angles C4'-P-C4' energy: -23.469
flat angles P-C4'-P energy: -14.112
tors. eta vs tors. theta energy: -4.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -541.685611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.685611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.685611 (E_RNA)
where:
Base-Base interactions energy: -363.107
where: short stacking energy: -171.922
Base-Backbone interact. energy: -0.899
local terms energy: -177.680157
where:
bonds (distance) C4'-P energy: -35.169
bonds (distance) P-C4' energy: -38.841
flat angles C4'-P-C4' energy: -38.334
flat angles P-C4'-P energy: -28.288
tors. eta vs tors. theta energy: -37.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -536.111248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.111248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.111248 (E_RNA)
where:
Base-Base interactions energy: -350.512
where: short stacking energy: -176.124
Base-Backbone interact. energy: -0.816
local terms energy: -184.783041
where:
bonds (distance) C4'-P energy: -39.622
bonds (distance) P-C4' energy: -33.308
flat angles C4'-P-C4' energy: -33.431
flat angles P-C4'-P energy: -26.923
tors. eta vs tors. theta energy: -51.499
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: 6
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -491.763350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.763350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.763350 (E_RNA)
where:
Base-Base interactions energy: -342.914
where: short stacking energy: -143.723
Base-Backbone interact. energy: -1.167
local terms energy: -147.682474
where:
bonds (distance) C4'-P energy: -29.995
bonds (distance) P-C4' energy: -29.740
flat angles C4'-P-C4' energy: -40.710
flat angles P-C4'-P energy: -17.930
tors. eta vs tors. theta energy: -29.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -432.849532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.849532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.849532 (E_RNA)
where:
Base-Base interactions energy: -277.112
where: short stacking energy: -130.971
Base-Backbone interact. energy: -0.784
local terms energy: -154.953817
where:
bonds (distance) C4'-P energy: -33.398
bonds (distance) P-C4' energy: -30.587
flat angles C4'-P-C4' energy: -29.344
flat angles P-C4'-P energy: -26.525
tors. eta vs tors. theta energy: -35.101
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: 9
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -435.648713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.648713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.648713 (E_RNA)
where:
Base-Base interactions energy: -266.674
where: short stacking energy: -146.360
Base-Backbone interact. energy: -0.206
local terms energy: -168.769273
where:
bonds (distance) C4'-P energy: -37.250
bonds (distance) P-C4' energy: -34.058
flat angles C4'-P-C4' energy: -33.488
flat angles P-C4'-P energy: -27.231
tors. eta vs tors. theta energy: -36.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -344.071211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.071211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.071211 (E_RNA)
where:
Base-Base interactions energy: -225.457
where: short stacking energy: -90.238
Base-Backbone interact. energy: 1.480
local terms energy: -120.094653
where:
bonds (distance) C4'-P energy: -27.694
bonds (distance) P-C4' energy: -23.873
flat angles C4'-P-C4' energy: -24.034
flat angles P-C4'-P energy: -23.643
tors. eta vs tors. theta energy: -20.851
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: 2
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -323.651307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.651307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.651307 (E_RNA)
where:
Base-Base interactions energy: -202.807
where: short stacking energy: -106.301
Base-Backbone interact. energy: -0.453
local terms energy: -120.392216
where:
bonds (distance) C4'-P energy: -31.756
bonds (distance) P-C4' energy: -23.831
flat angles C4'-P-C4' energy: -30.352
flat angles P-C4'-P energy: -10.551
tors. eta vs tors. theta energy: -23.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -313.546331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.546331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.546331 (E_RNA)
where:
Base-Base interactions energy: -197.928
where: short stacking energy: -104.830
Base-Backbone interact. energy: 0.190
local terms energy: -115.807686
where:
bonds (distance) C4'-P energy: -31.451
bonds (distance) P-C4' energy: -29.150
flat angles C4'-P-C4' energy: -20.862
flat angles P-C4'-P energy: -12.438
tors. eta vs tors. theta energy: -21.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -261.755902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.755902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.755902 (E_RNA)
where:
Base-Base interactions energy: -152.647
where: short stacking energy: -86.730
Base-Backbone interact. energy: -0.551
local terms energy: -108.558088
where:
bonds (distance) C4'-P energy: -24.730
bonds (distance) P-C4' energy: -26.035
flat angles C4'-P-C4' energy: -25.816
flat angles P-C4'-P energy: -18.414
tors. eta vs tors. theta energy: -13.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -156.062733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.062733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.062733 (E_RNA)
where:
Base-Base interactions energy: -74.762
where: short stacking energy: -62.220
Base-Backbone interact. energy: -0.855
local terms energy: -80.445790
where:
bonds (distance) C4'-P energy: -21.897
bonds (distance) P-C4' energy: -22.115
flat angles C4'-P-C4' energy: -31.602
flat angles P-C4'-P energy: -7.773
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: 5
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -541.537951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.537951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.537951 (E_RNA)
where:
Base-Base interactions energy: -353.493
where: short stacking energy: -182.491
Base-Backbone interact. energy: -0.178
local terms energy: -187.867489
where:
bonds (distance) C4'-P energy: -37.653
bonds (distance) P-C4' energy: -33.153
flat angles C4'-P-C4' energy: -40.311
flat angles P-C4'-P energy: -23.498
tors. eta vs tors. theta energy: -53.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -535.690471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.690471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.690471 (E_RNA)
where:
Base-Base interactions energy: -362.846
where: short stacking energy: -162.055
Base-Backbone interact. energy: 0.535
local terms energy: -173.379589
where:
bonds (distance) C4'-P energy: -37.712
bonds (distance) P-C4' energy: -34.109
flat angles C4'-P-C4' energy: -34.316
flat angles P-C4'-P energy: -26.129
tors. eta vs tors. theta energy: -41.114
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: 6
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -506.866582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.866582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.866582 (E_RNA)
where:
Base-Base interactions energy: -336.991
where: short stacking energy: -146.011
Base-Backbone interact. energy: 0.358
local terms energy: -170.233077
where:
bonds (distance) C4'-P energy: -37.354
bonds (distance) P-C4' energy: -36.665
flat angles C4'-P-C4' energy: -39.599
flat angles P-C4'-P energy: -22.363
tors. eta vs tors. theta energy: -34.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -437.291929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.291929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.291929 (E_RNA)
where:
Base-Base interactions energy: -277.391
where: short stacking energy: -138.952
Base-Backbone interact. energy: -0.395
local terms energy: -159.505391
where:
bonds (distance) C4'-P energy: -39.404
bonds (distance) P-C4' energy: -35.118
flat angles C4'-P-C4' energy: -30.924
flat angles P-C4'-P energy: -22.537
tors. eta vs tors. theta energy: -31.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -428.198266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.198266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.198266 (E_RNA)
where:
Base-Base interactions energy: -268.707
where: short stacking energy: -145.220
Base-Backbone interact. energy: 0.049
local terms energy: -159.540836
where:
bonds (distance) C4'-P energy: -35.099
bonds (distance) P-C4' energy: -32.208
flat angles C4'-P-C4' energy: -31.912
flat angles P-C4'-P energy: -19.504
tors. eta vs tors. theta energy: -40.818
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: 8
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -358.516013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.516013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.516013 (E_RNA)
where:
Base-Base interactions energy: -225.425
where: short stacking energy: -112.830
Base-Backbone interact. energy: -0.532
local terms energy: -132.559889
where:
bonds (distance) C4'-P energy: -33.772
bonds (distance) P-C4' energy: -32.582
flat angles C4'-P-C4' energy: -27.622
flat angles P-C4'-P energy: -23.664
tors. eta vs tors. theta energy: -14.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -331.914914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.914914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.914914 (E_RNA)
where:
Base-Base interactions energy: -205.083
where: short stacking energy: -96.174
Base-Backbone interact. energy: 0.042
local terms energy: -126.874135
where:
bonds (distance) C4'-P energy: -31.189
bonds (distance) P-C4' energy: -35.117
flat angles C4'-P-C4' energy: -25.751
flat angles P-C4'-P energy: -19.836
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: 8, replica: 2
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -331.313854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.313854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.313854 (E_RNA)
where:
Base-Base interactions energy: -193.348
where: short stacking energy: -90.929
Base-Backbone interact. energy: 0.994
local terms energy: -138.959954
where:
bonds (distance) C4'-P energy: -32.296
bonds (distance) P-C4' energy: -31.660
flat angles C4'-P-C4' energy: -29.436
flat angles P-C4'-P energy: -27.536
tors. eta vs tors. theta energy: -18.032
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: 7
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -247.426049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.426049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.426049 (E_RNA)
where:
Base-Base interactions energy: -137.388
where: short stacking energy: -64.659
Base-Backbone interact. energy: -0.549
local terms energy: -109.489301
where:
bonds (distance) C4'-P energy: -32.965
bonds (distance) P-C4' energy: -31.440
flat angles C4'-P-C4' energy: -18.527
flat angles P-C4'-P energy: -24.005
tors. eta vs tors. theta energy: -2.552
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: 386
Temperature: 1.350000
Total energy: -216.789479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.789479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.789479 (E_RNA)
where:
Base-Base interactions energy: -114.087
where: short stacking energy: -64.054
Base-Backbone interact. energy: 0.451
local terms energy: -103.152991
where:
bonds (distance) C4'-P energy: -33.873
bonds (distance) P-C4' energy: -23.693
flat angles C4'-P-C4' energy: -27.159
flat angles P-C4'-P energy: -11.872
tors. eta vs tors. theta energy: -6.557
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: 5
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -555.422664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.422664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.422664 (E_RNA)
where:
Base-Base interactions energy: -359.406
where: short stacking energy: -188.148
Base-Backbone interact. energy: 0.436
local terms energy: -196.452562
where:
bonds (distance) C4'-P energy: -34.216
bonds (distance) P-C4' energy: -41.516
flat angles C4'-P-C4' energy: -38.354
flat angles P-C4'-P energy: -27.518
tors. eta vs tors. theta energy: -54.849
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: 4
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -532.955727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.955727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.955727 (E_RNA)
where:
Base-Base interactions energy: -359.260
where: short stacking energy: -163.625
Base-Backbone interact. energy: -0.655
local terms energy: -173.040527
where:
bonds (distance) C4'-P energy: -31.080
bonds (distance) P-C4' energy: -32.722
flat angles C4'-P-C4' energy: -43.586
flat angles P-C4'-P energy: -23.397
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: 3, replica: 6
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -493.325640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.325640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.325640 (E_RNA)
where:
Base-Base interactions energy: -328.758
where: short stacking energy: -151.913
Base-Backbone interact. energy: -1.113
local terms energy: -163.454484
where:
bonds (distance) C4'-P energy: -35.834
bonds (distance) P-C4' energy: -30.321
flat angles C4'-P-C4' energy: -38.548
flat angles P-C4'-P energy: -22.785
tors. eta vs tors. theta energy: -35.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -442.458105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.458105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.458105 (E_RNA)
where:
Base-Base interactions energy: -280.749
where: short stacking energy: -140.720
Base-Backbone interact. energy: 2.218
local terms energy: -163.926747
where:
bonds (distance) C4'-P energy: -32.228
bonds (distance) P-C4' energy: -33.186
flat angles C4'-P-C4' energy: -33.185
flat angles P-C4'-P energy: -29.610
tors. eta vs tors. theta energy: -35.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -420.270553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.270553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.270553 (E_RNA)
where:
Base-Base interactions energy: -278.009
where: short stacking energy: -134.694
Base-Backbone interact. energy: 0.129
local terms energy: -142.390335
where:
bonds (distance) C4'-P energy: -32.515
bonds (distance) P-C4' energy: -32.781
flat angles C4'-P-C4' energy: -28.865
flat angles P-C4'-P energy: -15.879
tors. eta vs tors. theta energy: -32.350
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: 1
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -353.594263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.594263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.594263 (E_RNA)
where:
Base-Base interactions energy: -217.215
where: short stacking energy: -118.324
Base-Backbone interact. energy: -0.195
local terms energy: -136.184630
where:
bonds (distance) C4'-P energy: -28.192
bonds (distance) P-C4' energy: -34.359
flat angles C4'-P-C4' energy: -31.224
flat angles P-C4'-P energy: -16.837
tors. eta vs tors. theta energy: -25.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -333.974534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.974534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.974534 (E_RNA)
where:
Base-Base interactions energy: -196.340
where: short stacking energy: -107.958
Base-Backbone interact. energy: 0.786
local terms energy: -138.421098
where:
bonds (distance) C4'-P energy: -33.647
bonds (distance) P-C4' energy: -36.381
flat angles C4'-P-C4' energy: -30.084
flat angles P-C4'-P energy: -22.198
tors. eta vs tors. theta energy: -16.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -313.907517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.907517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.907517 (E_RNA)
where:
Base-Base interactions energy: -185.934
where: short stacking energy: -95.951
Base-Backbone interact. energy: -0.259
local terms energy: -127.714118
where:
bonds (distance) C4'-P energy: -20.728
bonds (distance) P-C4' energy: -32.282
flat angles C4'-P-C4' energy: -32.189
flat angles P-C4'-P energy: -16.459
tors. eta vs tors. theta energy: -26.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -254.863759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.863759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.863759 (E_RNA)
where:
Base-Base interactions energy: -153.028
where: short stacking energy: -71.776
Base-Backbone interact. energy: 1.170
local terms energy: -103.005992
where:
bonds (distance) C4'-P energy: -30.784
bonds (distance) P-C4' energy: -22.458
flat angles C4'-P-C4' energy: -20.559
flat angles P-C4'-P energy: -19.523
tors. eta vs tors. theta energy: -9.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -173.974006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.974006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.974006 (E_RNA)
where:
Base-Base interactions energy: -61.876
where: short stacking energy: -36.028
Base-Backbone interact. energy: 0.550
local terms energy: -112.647923
where:
bonds (distance) C4'-P energy: -32.831
bonds (distance) P-C4' energy: -37.155
flat angles C4'-P-C4' energy: -31.927
flat angles P-C4'-P energy: -19.227
tors. eta vs tors. theta energy: 8.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -563.370438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.370438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.370438 (E_RNA)
where:
Base-Base interactions energy: -378.934
where: short stacking energy: -197.662
Base-Backbone interact. energy: 0.089
local terms energy: -184.525309
where:
bonds (distance) C4'-P energy: -27.963
bonds (distance) P-C4' energy: -36.757
flat angles C4'-P-C4' energy: -41.571
flat angles P-C4'-P energy: -20.003
tors. eta vs tors. theta energy: -58.231
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: 4
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -543.108815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.108815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.108815 (E_RNA)
where:
Base-Base interactions energy: -376.643
where: short stacking energy: -167.275
Base-Backbone interact. energy: -0.364
local terms energy: -166.101835
where:
bonds (distance) C4'-P energy: -29.836
bonds (distance) P-C4' energy: -30.587
flat angles C4'-P-C4' energy: -35.938
flat angles P-C4'-P energy: -27.469
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: 3, replica: 6
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -500.053312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.053312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.053312 (E_RNA)
where:
Base-Base interactions energy: -338.199
where: short stacking energy: -153.813
Base-Backbone interact. energy: -0.378
local terms energy: -161.476865
where:
bonds (distance) C4'-P energy: -35.149
bonds (distance) P-C4' energy: -32.161
flat angles C4'-P-C4' energy: -29.370
flat angles P-C4'-P energy: -30.078
tors. eta vs tors. theta energy: -34.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -428.583250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.583250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.583250 (E_RNA)
where:
Base-Base interactions energy: -271.244
where: short stacking energy: -124.183
Base-Backbone interact. energy: 1.068
local terms energy: -158.407029
where:
bonds (distance) C4'-P energy: -32.967
bonds (distance) P-C4' energy: -34.556
flat angles C4'-P-C4' energy: -33.781
flat angles P-C4'-P energy: -23.571
tors. eta vs tors. theta energy: -33.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -435.842368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.842368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.842368 (E_RNA)
where:
Base-Base interactions energy: -280.221
where: short stacking energy: -139.368
Base-Backbone interact. energy: -0.054
local terms energy: -155.567162
where:
bonds (distance) C4'-P energy: -33.423
bonds (distance) P-C4' energy: -31.911
flat angles C4'-P-C4' energy: -36.619
flat angles P-C4'-P energy: -20.850
tors. eta vs tors. theta energy: -32.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -339.257397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.257397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.257397 (E_RNA)
where:
Base-Base interactions energy: -205.977
where: short stacking energy: -98.219
Base-Backbone interact. energy: -0.861
local terms energy: -132.419281
where:
bonds (distance) C4'-P energy: -30.805
bonds (distance) P-C4' energy: -33.180
flat angles C4'-P-C4' energy: -32.502
flat angles P-C4'-P energy: -22.031
tors. eta vs tors. theta energy: -13.902
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: 388
Temperature: 1.200000
Total energy: -339.372076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.372076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.372076 (E_RNA)
where:
Base-Base interactions energy: -205.008
where: short stacking energy: -105.464
Base-Backbone interact. energy: -0.817
local terms energy: -133.547535
where:
bonds (distance) C4'-P energy: -27.770
bonds (distance) P-C4' energy: -32.899
flat angles C4'-P-C4' energy: -35.849
flat angles P-C4'-P energy: -15.497
tors. eta vs tors. theta energy: -21.533
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: 8
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -307.425567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.425567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.425567 (E_RNA)
where:
Base-Base interactions energy: -186.456
where: short stacking energy: -96.255
Base-Backbone interact. energy: 2.314
local terms energy: -123.283498
where:
bonds (distance) C4'-P energy: -27.464
bonds (distance) P-C4' energy: -27.494
flat angles C4'-P-C4' energy: -30.598
flat angles P-C4'-P energy: -25.943
tors. eta vs tors. theta energy: -11.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -252.950633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.950633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.950633 (E_RNA)
where:
Base-Base interactions energy: -137.041
where: short stacking energy: -61.369
Base-Backbone interact. energy: 0.004
local terms energy: -115.913457
where:
bonds (distance) C4'-P energy: -30.224
bonds (distance) P-C4' energy: -33.558
flat angles C4'-P-C4' energy: -35.965
flat angles P-C4'-P energy: -13.881
tors. eta vs tors. theta energy: -2.286
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: 388
Temperature: 1.350000
Total energy: -159.712561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.712561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.712561 (E_RNA)
where:
Base-Base interactions energy: -67.971
where: short stacking energy: -61.320
Base-Backbone interact. energy: 1.193
local terms energy: -92.934967
where:
bonds (distance) C4'-P energy: -28.938
bonds (distance) P-C4' energy: -29.906
flat angles C4'-P-C4' energy: -15.255
flat angles P-C4'-P energy: -17.663
tors. eta vs tors. theta energy: -1.173
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: 5
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -577.596758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.596758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.596758 (E_RNA)
where:
Base-Base interactions energy: -385.299
where: short stacking energy: -198.376
Base-Backbone interact. energy: -0.831
local terms energy: -191.466798
where:
bonds (distance) C4'-P energy: -33.569
bonds (distance) P-C4' energy: -33.705
flat angles C4'-P-C4' energy: -37.625
flat angles P-C4'-P energy: -29.620
tors. eta vs tors. theta energy: -56.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -526.479902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.479902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.479902 (E_RNA)
where:
Base-Base interactions energy: -361.996
where: short stacking energy: -162.097
Base-Backbone interact. energy: -1.124
local terms energy: -163.359023
where:
bonds (distance) C4'-P energy: -34.440
bonds (distance) P-C4' energy: -28.498
flat angles C4'-P-C4' energy: -34.984
flat angles P-C4'-P energy: -26.233
tors. eta vs tors. theta energy: -39.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -502.903999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.903999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.903999 (E_RNA)
where:
Base-Base interactions energy: -340.548
where: short stacking energy: -161.814
Base-Backbone interact. energy: -0.369
local terms energy: -161.986830
where:
bonds (distance) C4'-P energy: -32.067
bonds (distance) P-C4' energy: -30.020
flat angles C4'-P-C4' energy: -37.445
flat angles P-C4'-P energy: -19.600
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: 4, replica: 9
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -432.115830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.115830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.115830 (E_RNA)
where:
Base-Base interactions energy: -284.583
where: short stacking energy: -139.022
Base-Backbone interact. energy: -0.584
local terms energy: -146.948298
where:
bonds (distance) C4'-P energy: -26.304
bonds (distance) P-C4' energy: -28.688
flat angles C4'-P-C4' energy: -30.243
flat angles P-C4'-P energy: -27.350
tors. eta vs tors. theta energy: -34.363
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: 10
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -425.304745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.304745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.304745 (E_RNA)
where:
Base-Base interactions energy: -274.297
where: short stacking energy: -131.382
Base-Backbone interact. energy: -0.651
local terms energy: -150.356099
where:
bonds (distance) C4'-P energy: -35.963
bonds (distance) P-C4' energy: -29.480
flat angles C4'-P-C4' energy: -32.733
flat angles P-C4'-P energy: -22.450
tors. eta vs tors. theta energy: -29.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -342.990812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.990812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.990812 (E_RNA)
where:
Base-Base interactions energy: -211.391
where: short stacking energy: -113.603
Base-Backbone interact. energy: 0.988
local terms energy: -132.587726
where:
bonds (distance) C4'-P energy: -25.573
bonds (distance) P-C4' energy: -34.921
flat angles C4'-P-C4' energy: -32.025
flat angles P-C4'-P energy: -20.870
tors. eta vs tors. theta energy: -19.199
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: 1
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -371.500301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.500301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.500301 (E_RNA)
where:
Base-Base interactions energy: -239.792
where: short stacking energy: -108.860
Base-Backbone interact. energy: -0.848
local terms energy: -130.861097
where:
bonds (distance) C4'-P energy: -27.672
bonds (distance) P-C4' energy: -33.371
flat angles C4'-P-C4' energy: -27.030
flat angles P-C4'-P energy: -20.410
tors. eta vs tors. theta energy: -22.378
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: 8
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -310.054588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.054588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.054588 (E_RNA)
where:
Base-Base interactions energy: -187.290
where: short stacking energy: -83.949
Base-Backbone interact. energy: -0.299
local terms energy: -122.466472
where:
bonds (distance) C4'-P energy: -30.723
bonds (distance) P-C4' energy: -33.449
flat angles C4'-P-C4' energy: -25.332
flat angles P-C4'-P energy: -12.218
tors. eta vs tors. theta energy: -20.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -268.686407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.686407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.686407 (E_RNA)
where:
Base-Base interactions energy: -158.742
where: short stacking energy: -64.469
Base-Backbone interact. energy: 0.944
local terms energy: -110.888879
where:
bonds (distance) C4'-P energy: -26.966
bonds (distance) P-C4' energy: -36.806
flat angles C4'-P-C4' energy: -24.474
flat angles P-C4'-P energy: -20.721
tors. eta vs tors. theta energy: -1.922
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: 10, replica: 3
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -165.732628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.732628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.732628 (E_RNA)
where:
Base-Base interactions energy: -62.814
where: short stacking energy: -37.251
Base-Backbone interact. energy: 0.113
local terms energy: -103.031567
where:
bonds (distance) C4'-P energy: -28.454
bonds (distance) P-C4' energy: -29.612
flat angles C4'-P-C4' energy: -29.251
flat angles P-C4'-P energy: -16.280
tors. eta vs tors. theta energy: 0.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -555.543950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.543950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.543950 (E_RNA)
where:
Base-Base interactions energy: -379.342
where: short stacking energy: -199.400
Base-Backbone interact. energy: -0.207
local terms energy: -175.994537
where:
bonds (distance) C4'-P energy: -26.942
bonds (distance) P-C4' energy: -27.223
flat angles C4'-P-C4' energy: -41.752
flat angles P-C4'-P energy: -22.931
tors. eta vs tors. theta energy: -57.148
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: 4
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -532.209342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.209342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.209342 (E_RNA)
where:
Base-Base interactions energy: -354.885
where: short stacking energy: -160.513
Base-Backbone interact. energy: 0.394
local terms energy: -177.717534
where:
bonds (distance) C4'-P energy: -31.369
bonds (distance) P-C4' energy: -37.422
flat angles C4'-P-C4' energy: -40.249
flat angles P-C4'-P energy: -24.455
tors. eta vs tors. theta energy: -44.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -504.310143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.310143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.310143 (E_RNA)
where:
Base-Base interactions energy: -331.527
where: short stacking energy: -139.893
Base-Backbone interact. energy: -0.523
local terms energy: -172.260794
where:
bonds (distance) C4'-P energy: -34.436
bonds (distance) P-C4' energy: -37.524
flat angles C4'-P-C4' energy: -36.390
flat angles P-C4'-P energy: -27.495
tors. eta vs tors. theta energy: -36.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -412.970833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.970833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.970833 (E_RNA)
where:
Base-Base interactions energy: -275.573
where: short stacking energy: -142.315
Base-Backbone interact. energy: 0.579
local terms energy: -137.977023
where:
bonds (distance) C4'-P energy: -24.506
bonds (distance) P-C4' energy: -25.954
flat angles C4'-P-C4' energy: -35.341
flat angles P-C4'-P energy: -25.450
tors. eta vs tors. theta energy: -26.727
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: 5, replica: 10
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -389.166222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.166222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.166222 (E_RNA)
where:
Base-Base interactions energy: -262.121
where: short stacking energy: -137.345
Base-Backbone interact. energy: -0.484
local terms energy: -126.561108
where:
bonds (distance) C4'-P energy: -28.581
bonds (distance) P-C4' energy: -30.774
flat angles C4'-P-C4' energy: -18.564
flat angles P-C4'-P energy: -20.342
tors. eta vs tors. theta energy: -28.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -355.888429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.888429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.888429 (E_RNA)
where:
Base-Base interactions energy: -219.177
where: short stacking energy: -120.739
Base-Backbone interact. energy: -0.358
local terms energy: -136.353200
where:
bonds (distance) C4'-P energy: -26.126
bonds (distance) P-C4' energy: -31.000
flat angles C4'-P-C4' energy: -31.315
flat angles P-C4'-P energy: -18.144
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: 7, replica: 1
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -335.185623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.185623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.185623 (E_RNA)
where:
Base-Base interactions energy: -202.845
where: short stacking energy: -95.206
Base-Backbone interact. energy: -0.959
local terms energy: -131.381182
where:
bonds (distance) C4'-P energy: -25.459
bonds (distance) P-C4' energy: -37.812
flat angles C4'-P-C4' energy: -30.104
flat angles P-C4'-P energy: -15.660
tors. eta vs tors. theta energy: -22.345
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: 8
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -327.821137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.821137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.821137 (E_RNA)
where:
Base-Base interactions energy: -198.405
where: short stacking energy: -103.159
Base-Backbone interact. energy: -0.248
local terms energy: -129.168490
where:
bonds (distance) C4'-P energy: -32.946
bonds (distance) P-C4' energy: -32.633
flat angles C4'-P-C4' energy: -28.443
flat angles P-C4'-P energy: -14.250
tors. eta vs tors. theta energy: -20.897
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: 390
Temperature: 1.300000
Total energy: -243.720051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.720051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.720051 (E_RNA)
where:
Base-Base interactions energy: -132.142
where: short stacking energy: -66.662
Base-Backbone interact. energy: -0.817
local terms energy: -110.761203
where:
bonds (distance) C4'-P energy: -24.926
bonds (distance) P-C4' energy: -33.217
flat angles C4'-P-C4' energy: -24.835
flat angles P-C4'-P energy: -16.425
tors. eta vs tors. theta energy: -11.358
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: 10, replica: 3
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -175.001552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.001552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.001552 (E_RNA)
where:
Base-Base interactions energy: -63.457
where: short stacking energy: -51.557
Base-Backbone interact. energy: 0.027
local terms energy: -111.571232
where:
bonds (distance) C4'-P energy: -26.478
bonds (distance) P-C4' energy: -30.903
flat angles C4'-P-C4' energy: -30.400
flat angles P-C4'-P energy: -18.520
tors. eta vs tors. theta energy: -5.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -547.730476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.730476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.730476 (E_RNA)
where:
Base-Base interactions energy: -362.883
where: short stacking energy: -181.994
Base-Backbone interact. energy: -0.012
local terms energy: -184.835490
where:
bonds (distance) C4'-P energy: -33.727
bonds (distance) P-C4' energy: -35.541
flat angles C4'-P-C4' energy: -36.624
flat angles P-C4'-P energy: -24.352
tors. eta vs tors. theta energy: -54.591
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: 4
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -525.010574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.010574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.010574 (E_RNA)
where:
Base-Base interactions energy: -370.397
where: short stacking energy: -165.970
Base-Backbone interact. energy: -0.649
local terms energy: -153.964529
where:
bonds (distance) C4'-P energy: -26.622
bonds (distance) P-C4' energy: -31.044
flat angles C4'-P-C4' energy: -33.049
flat angles P-C4'-P energy: -24.760
tors. eta vs tors. theta energy: -38.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -531.340631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.340631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.340631 (E_RNA)
where:
Base-Base interactions energy: -373.822
where: short stacking energy: -166.298
Base-Backbone interact. energy: -0.734
local terms energy: -156.785497
where:
bonds (distance) C4'-P energy: -24.046
bonds (distance) P-C4' energy: -31.006
flat angles C4'-P-C4' energy: -40.592
flat angles P-C4'-P energy: -19.975
tors. eta vs tors. theta energy: -41.166
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: 4, replica: 9
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -454.349636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.349636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.349636 (E_RNA)
where:
Base-Base interactions energy: -295.570
where: short stacking energy: -146.495
Base-Backbone interact. energy: -0.252
local terms energy: -158.528363
where:
bonds (distance) C4'-P energy: -31.484
bonds (distance) P-C4' energy: -34.453
flat angles C4'-P-C4' energy: -31.883
flat angles P-C4'-P energy: -21.483
tors. eta vs tors. theta energy: -39.226
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: 10
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -357.139164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.139164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.139164 (E_RNA)
where:
Base-Base interactions energy: -219.425
where: short stacking energy: -114.437
Base-Backbone interact. energy: 2.516
local terms energy: -140.230171
where:
bonds (distance) C4'-P energy: -34.748
bonds (distance) P-C4' energy: -37.702
flat angles C4'-P-C4' energy: -24.560
flat angles P-C4'-P energy: -18.962
tors. eta vs tors. theta energy: -24.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -343.449548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.449548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.449548 (E_RNA)
where:
Base-Base interactions energy: -206.669
where: short stacking energy: -101.417
Base-Backbone interact. energy: -0.750
local terms energy: -136.030209
where:
bonds (distance) C4'-P energy: -30.486
bonds (distance) P-C4' energy: -34.947
flat angles C4'-P-C4' energy: -32.121
flat angles P-C4'-P energy: -20.404
tors. eta vs tors. theta energy: -18.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -343.157324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.157324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.157324 (E_RNA)
where:
Base-Base interactions energy: -198.186
where: short stacking energy: -101.703
Base-Backbone interact. energy: -0.563
local terms energy: -144.408855
where:
bonds (distance) C4'-P energy: -32.783
bonds (distance) P-C4' energy: -33.259
flat angles C4'-P-C4' energy: -32.815
flat angles P-C4'-P energy: -17.940
tors. eta vs tors. theta energy: -27.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -331.341684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.341684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.341684 (E_RNA)
where:
Base-Base interactions energy: -193.594
where: short stacking energy: -102.677
Base-Backbone interact. energy: -0.581
local terms energy: -137.165865
where:
bonds (distance) C4'-P energy: -29.965
bonds (distance) P-C4' energy: -33.411
flat angles C4'-P-C4' energy: -35.150
flat angles P-C4'-P energy: -20.892
tors. eta vs tors. theta energy: -17.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -253.094916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.094916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.094916 (E_RNA)
where:
Base-Base interactions energy: -137.370
where: short stacking energy: -84.437
Base-Backbone interact. energy: -0.590
local terms energy: -115.134862
where:
bonds (distance) C4'-P energy: -22.427
bonds (distance) P-C4' energy: -31.706
flat angles C4'-P-C4' energy: -24.287
flat angles P-C4'-P energy: -19.598
tors. eta vs tors. theta energy: -17.117
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: 391
Temperature: 1.350000
Total energy: -200.965927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.965927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.965927 (E_RNA)
where:
Base-Base interactions energy: -110.804
where: short stacking energy: -73.751
Base-Backbone interact. energy: -0.389
local terms energy: -89.772347
where:
bonds (distance) C4'-P energy: -28.788
bonds (distance) P-C4' energy: -29.190
flat angles C4'-P-C4' energy: -13.859
flat angles P-C4'-P energy: -14.307
tors. eta vs tors. theta energy: -3.628
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: 1, replica: 5
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -571.478221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.478221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.478221 (E_RNA)
where:
Base-Base interactions energy: -384.400
where: short stacking energy: -192.146
Base-Backbone interact. energy: -0.021
local terms energy: -187.057052
where:
bonds (distance) C4'-P energy: -35.844
bonds (distance) P-C4' energy: -33.236
flat angles C4'-P-C4' energy: -36.230
flat angles P-C4'-P energy: -25.241
tors. eta vs tors. theta energy: -56.506
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: 4
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -522.775515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.775515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.775515 (E_RNA)
where:
Base-Base interactions energy: -360.879
where: short stacking energy: -163.537
Base-Backbone interact. energy: -1.427
local terms energy: -160.470367
where:
bonds (distance) C4'-P energy: -28.079
bonds (distance) P-C4' energy: -30.207
flat angles C4'-P-C4' energy: -42.230
flat angles P-C4'-P energy: -18.584
tors. eta vs tors. theta energy: -41.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -521.357212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.357212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.357212 (E_RNA)
where:
Base-Base interactions energy: -360.011
where: short stacking energy: -162.424
Base-Backbone interact. energy: -0.533
local terms energy: -160.813483
where:
bonds (distance) C4'-P energy: -28.867
bonds (distance) P-C4' energy: -36.081
flat angles C4'-P-C4' energy: -35.011
flat angles P-C4'-P energy: -24.013
tors. eta vs tors. theta energy: -36.841
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: 392
Temperature: 1.050000
Total energy: -462.472904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.472904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.472904 (E_RNA)
where:
Base-Base interactions energy: -295.850
where: short stacking energy: -140.381
Base-Backbone interact. energy: -0.134
local terms energy: -166.488618
where:
bonds (distance) C4'-P energy: -36.946
bonds (distance) P-C4' energy: -41.291
flat angles C4'-P-C4' energy: -30.209
flat angles P-C4'-P energy: -20.026
tors. eta vs tors. theta energy: -38.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -388.201595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.201595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.201595 (E_RNA)
where:
Base-Base interactions energy: -241.045
where: short stacking energy: -124.646
Base-Backbone interact. energy: -0.496
local terms energy: -146.660185
where:
bonds (distance) C4'-P energy: -29.940
bonds (distance) P-C4' energy: -28.422
flat angles C4'-P-C4' energy: -28.875
flat angles P-C4'-P energy: -24.966
tors. eta vs tors. theta energy: -34.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -382.560601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.560601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.560601 (E_RNA)
where:
Base-Base interactions energy: -235.998
where: short stacking energy: -130.854
Base-Backbone interact. energy: -0.228
local terms energy: -146.334704
where:
bonds (distance) C4'-P energy: -33.922
bonds (distance) P-C4' energy: -30.513
flat angles C4'-P-C4' energy: -30.890
flat angles P-C4'-P energy: -20.150
tors. eta vs tors. theta energy: -30.860
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: 2
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -343.764341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.764341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.764341 (E_RNA)
where:
Base-Base interactions energy: -205.580
where: short stacking energy: -105.707
Base-Backbone interact. energy: -0.208
local terms energy: -137.977019
where:
bonds (distance) C4'-P energy: -30.498
bonds (distance) P-C4' energy: -29.737
flat angles C4'-P-C4' energy: -35.238
flat angles P-C4'-P energy: -20.932
tors. eta vs tors. theta energy: -21.572
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: 8
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -331.222634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.222634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.222634 (E_RNA)
where:
Base-Base interactions energy: -213.621
where: short stacking energy: -104.987
Base-Backbone interact. energy: 1.873
local terms energy: -119.474229
where:
bonds (distance) C4'-P energy: -26.623
bonds (distance) P-C4' energy: -25.770
flat angles C4'-P-C4' energy: -34.487
flat angles P-C4'-P energy: -16.874
tors. eta vs tors. theta energy: -15.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -239.458350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.458350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.458350 (E_RNA)
where:
Base-Base interactions energy: -123.420
where: short stacking energy: -65.116
Base-Backbone interact. energy: -0.681
local terms energy: -115.357603
where:
bonds (distance) C4'-P energy: -35.955
bonds (distance) P-C4' energy: -30.667
flat angles C4'-P-C4' energy: -24.976
flat angles P-C4'-P energy: -15.528
tors. eta vs tors. theta energy: -8.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -210.065435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.065435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.065435 (E_RNA)
where:
Base-Base interactions energy: -104.993
where: short stacking energy: -56.245
Base-Backbone interact. energy: 2.662
local terms energy: -107.734523
where:
bonds (distance) C4'-P energy: -27.735
bonds (distance) P-C4' energy: -27.384
flat angles C4'-P-C4' energy: -31.048
flat angles P-C4'-P energy: -22.069
tors. eta vs tors. theta energy: 0.502
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: 5
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -571.470830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.470830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.470830 (E_RNA)
where:
Base-Base interactions energy: -387.215
where: short stacking energy: -192.915
Base-Backbone interact. energy: 2.195
local terms energy: -186.450663
where:
bonds (distance) C4'-P energy: -29.650
bonds (distance) P-C4' energy: -36.872
flat angles C4'-P-C4' energy: -40.506
flat angles P-C4'-P energy: -24.211
tors. eta vs tors. theta energy: -55.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -526.320811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.320811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.320811 (E_RNA)
where:
Base-Base interactions energy: -356.670
where: short stacking energy: -162.261
Base-Backbone interact. energy: -0.620
local terms energy: -169.030260
where:
bonds (distance) C4'-P energy: -38.790
bonds (distance) P-C4' energy: -30.540
flat angles C4'-P-C4' energy: -33.338
flat angles P-C4'-P energy: -24.159
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: 3, replica: 6
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -488.682552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.682552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.682552 (E_RNA)
where:
Base-Base interactions energy: -327.381
where: short stacking energy: -141.339
Base-Backbone interact. energy: -1.670
local terms energy: -159.631589
where:
bonds (distance) C4'-P energy: -37.065
bonds (distance) P-C4' energy: -36.667
flat angles C4'-P-C4' energy: -29.788
flat angles P-C4'-P energy: -18.901
tors. eta vs tors. theta energy: -37.209
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: 4, replica: 9
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -458.737322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.737322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.737322 (E_RNA)
where:
Base-Base interactions energy: -294.862
where: short stacking energy: -156.444
Base-Backbone interact. energy: -0.045
local terms energy: -163.830179
where:
bonds (distance) C4'-P energy: -33.645
bonds (distance) P-C4' energy: -32.093
flat angles C4'-P-C4' energy: -36.413
flat angles P-C4'-P energy: -21.649
tors. eta vs tors. theta energy: -40.029
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: 10
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -383.889189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.889189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.889189 (E_RNA)
where:
Base-Base interactions energy: -230.970
where: short stacking energy: -124.437
Base-Backbone interact. energy: -0.264
local terms energy: -152.655183
where:
bonds (distance) C4'-P energy: -29.838
bonds (distance) P-C4' energy: -32.375
flat angles C4'-P-C4' energy: -33.925
flat angles P-C4'-P energy: -28.089
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: 6, replica: 2
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -358.223552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.223552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.223552 (E_RNA)
where:
Base-Base interactions energy: -224.277
where: short stacking energy: -115.654
Base-Backbone interact. energy: 1.054
local terms energy: -135.000461
where:
bonds (distance) C4'-P energy: -33.490
bonds (distance) P-C4' energy: -28.957
flat angles C4'-P-C4' energy: -25.606
flat angles P-C4'-P energy: -24.400
tors. eta vs tors. theta energy: -22.548
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: 1
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -312.447112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.447112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.447112 (E_RNA)
where:
Base-Base interactions energy: -192.076
where: short stacking energy: -89.570
Base-Backbone interact. energy: -1.236
local terms energy: -119.134678
where:
bonds (distance) C4'-P energy: -25.214
bonds (distance) P-C4' energy: -31.016
flat angles C4'-P-C4' energy: -30.242
flat angles P-C4'-P energy: -18.659
tors. eta vs tors. theta energy: -14.004
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: 8
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -330.929061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.929061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.929061 (E_RNA)
where:
Base-Base interactions energy: -218.404
where: short stacking energy: -103.299
Base-Backbone interact. energy: -0.327
local terms energy: -112.198014
where:
bonds (distance) C4'-P energy: -23.108
bonds (distance) P-C4' energy: -31.422
flat angles C4'-P-C4' energy: -25.092
flat angles P-C4'-P energy: -13.033
tors. eta vs tors. theta energy: -19.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -244.019198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.019198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.019198 (E_RNA)
where:
Base-Base interactions energy: -130.874
where: short stacking energy: -78.368
Base-Backbone interact. energy: -0.302
local terms energy: -112.842943
where:
bonds (distance) C4'-P energy: -29.095
bonds (distance) P-C4' energy: -14.023
flat angles C4'-P-C4' energy: -26.042
flat angles P-C4'-P energy: -28.106
tors. eta vs tors. theta energy: -15.577
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: 393
Temperature: 1.350000
Total energy: -232.113427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.113427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.113427 (E_RNA)
where:
Base-Base interactions energy: -125.206
where: short stacking energy: -78.318
Base-Backbone interact. energy: 0.807
local terms energy: -107.714927
where:
bonds (distance) C4'-P energy: -30.965
bonds (distance) P-C4' energy: -29.669
flat angles C4'-P-C4' energy: -22.955
flat angles P-C4'-P energy: -10.786
tors. eta vs tors. theta energy: -13.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -545.893360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.893360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.893360 (E_RNA)
where:
Base-Base interactions energy: -364.770
where: short stacking energy: -173.779
Base-Backbone interact. energy: 1.583
local terms energy: -182.706681
where:
bonds (distance) C4'-P energy: -32.407
bonds (distance) P-C4' energy: -36.339
flat angles C4'-P-C4' energy: -38.434
flat angles P-C4'-P energy: -25.774
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: 2, replica: 5
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -546.761763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.761763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.761763 (E_RNA)
where:
Base-Base interactions energy: -357.784
where: short stacking energy: -173.335
Base-Backbone interact. energy: -0.195
local terms energy: -188.782799
where:
bonds (distance) C4'-P energy: -36.427
bonds (distance) P-C4' energy: -34.604
flat angles C4'-P-C4' energy: -36.404
flat angles P-C4'-P energy: -27.634
tors. eta vs tors. theta energy: -53.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -494.317781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.317781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.317781 (E_RNA)
where:
Base-Base interactions energy: -330.355
where: short stacking energy: -150.104
Base-Backbone interact. energy: -0.496
local terms energy: -163.466363
where:
bonds (distance) C4'-P energy: -33.919
bonds (distance) P-C4' energy: -32.755
flat angles C4'-P-C4' energy: -33.442
flat angles P-C4'-P energy: -22.117
tors. eta vs tors. theta energy: -41.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -445.483376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.483376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.483376 (E_RNA)
where:
Base-Base interactions energy: -288.323
where: short stacking energy: -151.263
Base-Backbone interact. energy: 0.739
local terms energy: -157.899869
where:
bonds (distance) C4'-P energy: -31.731
bonds (distance) P-C4' energy: -29.664
flat angles C4'-P-C4' energy: -35.667
flat angles P-C4'-P energy: -23.927
tors. eta vs tors. theta energy: -36.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -385.180513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.180513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.180513 (E_RNA)
where:
Base-Base interactions energy: -235.138
where: short stacking energy: -129.739
Base-Backbone interact. energy: 0.379
local terms energy: -150.421845
where:
bonds (distance) C4'-P energy: -33.890
bonds (distance) P-C4' energy: -33.383
flat angles C4'-P-C4' energy: -34.578
flat angles P-C4'-P energy: -22.047
tors. eta vs tors. theta energy: -26.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -339.768842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.768842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.768842 (E_RNA)
where:
Base-Base interactions energy: -204.657
where: short stacking energy: -100.841
Base-Backbone interact. energy: -0.661
local terms energy: -134.451584
where:
bonds (distance) C4'-P energy: -25.305
bonds (distance) P-C4' energy: -36.156
flat angles C4'-P-C4' energy: -30.660
flat angles P-C4'-P energy: -18.287
tors. eta vs tors. theta energy: -24.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -366.920968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.920968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.920968 (E_RNA)
where:
Base-Base interactions energy: -242.087
where: short stacking energy: -122.759
Base-Backbone interact. energy: 1.427
local terms energy: -126.261758
where:
bonds (distance) C4'-P energy: -26.326
bonds (distance) P-C4' energy: -25.069
flat angles C4'-P-C4' energy: -28.162
flat angles P-C4'-P energy: -22.612
tors. eta vs tors. theta energy: -24.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -326.812425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.812425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.812425 (E_RNA)
where:
Base-Base interactions energy: -202.587
where: short stacking energy: -95.418
Base-Backbone interact. energy: 1.109
local terms energy: -125.334512
where:
bonds (distance) C4'-P energy: -35.801
bonds (distance) P-C4' energy: -36.279
flat angles C4'-P-C4' energy: -20.153
flat angles P-C4'-P energy: -20.969
tors. eta vs tors. theta energy: -12.133
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: 394
Temperature: 1.300000
Total energy: -251.111099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.111099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.111099 (E_RNA)
where:
Base-Base interactions energy: -129.893
where: short stacking energy: -85.289
Base-Backbone interact. energy: -1.298
local terms energy: -119.919692
where:
bonds (distance) C4'-P energy: -28.853
bonds (distance) P-C4' energy: -31.898
flat angles C4'-P-C4' energy: -21.765
flat angles P-C4'-P energy: -18.272
tors. eta vs tors. theta energy: -19.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -247.761925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.761925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.761925 (E_RNA)
where:
Base-Base interactions energy: -138.114
where: short stacking energy: -94.076
Base-Backbone interact. energy: 3.578
local terms energy: -113.225034
where:
bonds (distance) C4'-P energy: -31.424
bonds (distance) P-C4' energy: -20.749
flat angles C4'-P-C4' energy: -30.705
flat angles P-C4'-P energy: -16.025
tors. eta vs tors. theta energy: -14.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -541.862367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.862367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.862367 (E_RNA)
where:
Base-Base interactions energy: -361.546
where: short stacking energy: -168.407
Base-Backbone interact. energy: -2.262
local terms energy: -178.054624
where:
bonds (distance) C4'-P energy: -24.051
bonds (distance) P-C4' energy: -36.894
flat angles C4'-P-C4' energy: -37.800
flat angles P-C4'-P energy: -27.858
tors. eta vs tors. theta energy: -51.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -540.058006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.058006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.058006 (E_RNA)
where:
Base-Base interactions energy: -352.003
where: short stacking energy: -170.898
Base-Backbone interact. energy: -0.308
local terms energy: -187.746658
where:
bonds (distance) C4'-P energy: -33.740
bonds (distance) P-C4' energy: -35.642
flat angles C4'-P-C4' energy: -42.080
flat angles P-C4'-P energy: -28.157
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: 3, replica: 6
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -498.539544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.539544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.539544 (E_RNA)
where:
Base-Base interactions energy: -336.670
where: short stacking energy: -166.156
Base-Backbone interact. energy: -0.062
local terms energy: -161.807399
where:
bonds (distance) C4'-P energy: -24.720
bonds (distance) P-C4' energy: -33.207
flat angles C4'-P-C4' energy: -36.230
flat angles P-C4'-P energy: -26.580
tors. eta vs tors. theta energy: -41.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -458.902644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.902644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.902644 (E_RNA)
where:
Base-Base interactions energy: -285.025
where: short stacking energy: -140.241
Base-Backbone interact. energy: -0.219
local terms energy: -173.657989
where:
bonds (distance) C4'-P energy: -37.553
bonds (distance) P-C4' energy: -32.974
flat angles C4'-P-C4' energy: -32.128
flat angles P-C4'-P energy: -29.686
tors. eta vs tors. theta energy: -41.317
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: 2
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -354.923457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.923457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.923457 (E_RNA)
where:
Base-Base interactions energy: -220.977
where: short stacking energy: -117.755
Base-Backbone interact. energy: 1.150
local terms energy: -135.095932
where:
bonds (distance) C4'-P energy: -29.406
bonds (distance) P-C4' energy: -29.633
flat angles C4'-P-C4' energy: -33.807
flat angles P-C4'-P energy: -15.402
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: 10
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -376.038776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.038776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.038776 (E_RNA)
where:
Base-Base interactions energy: -253.478
where: short stacking energy: -121.827
Base-Backbone interact. energy: -0.648
local terms energy: -121.913077
where:
bonds (distance) C4'-P energy: -21.790
bonds (distance) P-C4' energy: -29.674
flat angles C4'-P-C4' energy: -32.190
flat angles P-C4'-P energy: -14.685
tors. eta vs tors. theta energy: -23.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -338.622579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.622579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.622579 (E_RNA)
where:
Base-Base interactions energy: -202.995
where: short stacking energy: -103.899
Base-Backbone interact. energy: -1.412
local terms energy: -134.215347
where:
bonds (distance) C4'-P energy: -34.495
bonds (distance) P-C4' energy: -28.482
flat angles C4'-P-C4' energy: -29.745
flat angles P-C4'-P energy: -23.551
tors. eta vs tors. theta energy: -17.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -267.324169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.324169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.324169 (E_RNA)
where:
Base-Base interactions energy: -158.756
where: short stacking energy: -92.601
Base-Backbone interact. energy: -0.594
local terms energy: -107.974720
where:
bonds (distance) C4'-P energy: -27.673
bonds (distance) P-C4' energy: -29.894
flat angles C4'-P-C4' energy: -28.337
flat angles P-C4'-P energy: -5.761
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: 9, replica: 1
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -274.393611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.393611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.393611 (E_RNA)
where:
Base-Base interactions energy: -161.658
where: short stacking energy: -75.639
Base-Backbone interact. energy: -0.544
local terms energy: -112.192176
where:
bonds (distance) C4'-P energy: -31.079
bonds (distance) P-C4' energy: -33.352
flat angles C4'-P-C4' energy: -21.883
flat angles P-C4'-P energy: -17.158
tors. eta vs tors. theta energy: -8.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -218.256441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.256441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.256441 (E_RNA)
where:
Base-Base interactions energy: -102.752
where: short stacking energy: -63.403
Base-Backbone interact. energy: 0.579
local terms energy: -116.083198
where:
bonds (distance) C4'-P energy: -28.012
bonds (distance) P-C4' energy: -32.392
flat angles C4'-P-C4' energy: -22.073
flat angles P-C4'-P energy: -21.829
tors. eta vs tors. theta energy: -11.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -535.501805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.501805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.501805 (E_RNA)
where:
Base-Base interactions energy: -349.321
where: short stacking energy: -186.161
Base-Backbone interact. energy: 0.612
local terms energy: -186.792085
where:
bonds (distance) C4'-P energy: -34.716
bonds (distance) P-C4' energy: -34.534
flat angles C4'-P-C4' energy: -38.373
flat angles P-C4'-P energy: -26.965
tors. eta vs tors. theta energy: -52.204
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: 4
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -522.506312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.506312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.506312 (E_RNA)
where:
Base-Base interactions energy: -351.397
where: short stacking energy: -165.113
Base-Backbone interact. energy: 2.650
local terms energy: -173.759657
where:
bonds (distance) C4'-P energy: -34.725
bonds (distance) P-C4' energy: -30.209
flat angles C4'-P-C4' energy: -34.982
flat angles P-C4'-P energy: -27.282
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: 3, replica: 6
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -513.840127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.840127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.840127 (E_RNA)
where:
Base-Base interactions energy: -341.518
where: short stacking energy: -148.844
Base-Backbone interact. energy: -0.146
local terms energy: -172.176952
where:
bonds (distance) C4'-P energy: -32.258
bonds (distance) P-C4' energy: -35.711
flat angles C4'-P-C4' energy: -34.305
flat angles P-C4'-P energy: -26.243
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: 4, replica: 9
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -435.412510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.412510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.412510 (E_RNA)
where:
Base-Base interactions energy: -264.588
where: short stacking energy: -142.162
Base-Backbone interact. energy: -0.412
local terms energy: -170.412498
where:
bonds (distance) C4'-P energy: -33.898
bonds (distance) P-C4' energy: -32.916
flat angles C4'-P-C4' energy: -37.978
flat angles P-C4'-P energy: -23.531
tors. eta vs tors. theta energy: -42.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -406.318393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.318393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.318393 (E_RNA)
where:
Base-Base interactions energy: -261.015
where: short stacking energy: -136.908
Base-Backbone interact. energy: -1.245
local terms energy: -144.058479
where:
bonds (distance) C4'-P energy: -30.520
bonds (distance) P-C4' energy: -30.575
flat angles C4'-P-C4' energy: -33.224
flat angles P-C4'-P energy: -18.645
tors. eta vs tors. theta energy: -31.093
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: 2
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -370.264534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.264534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.264534 (E_RNA)
where:
Base-Base interactions energy: -218.391
where: short stacking energy: -124.039
Base-Backbone interact. energy: -0.205
local terms energy: -151.668294
where:
bonds (distance) C4'-P energy: -31.118
bonds (distance) P-C4' energy: -28.712
flat angles C4'-P-C4' energy: -38.421
flat angles P-C4'-P energy: -21.499
tors. eta vs tors. theta energy: -31.918
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: 8
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -333.695778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.695778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.695778 (E_RNA)
where:
Base-Base interactions energy: -212.761
where: short stacking energy: -106.109
Base-Backbone interact. energy: 1.461
local terms energy: -122.395655
where:
bonds (distance) C4'-P energy: -29.141
bonds (distance) P-C4' energy: -22.685
flat angles C4'-P-C4' energy: -35.302
flat angles P-C4'-P energy: -16.879
tors. eta vs tors. theta energy: -18.389
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: 7
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -268.074351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.074351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.074351 (E_RNA)
where:
Base-Base interactions energy: -138.730
where: short stacking energy: -90.581
Base-Backbone interact. energy: -0.239
local terms energy: -129.105306
where:
bonds (distance) C4'-P energy: -31.917
bonds (distance) P-C4' energy: -38.132
flat angles C4'-P-C4' energy: -26.288
flat angles P-C4'-P energy: -11.948
tors. eta vs tors. theta energy: -20.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -294.713507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.713507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.713507 (E_RNA)
where:
Base-Base interactions energy: -167.200
where: short stacking energy: -88.956
Base-Backbone interact. energy: -1.127
local terms energy: -126.386313
where:
bonds (distance) C4'-P energy: -40.915
bonds (distance) P-C4' energy: -27.751
flat angles C4'-P-C4' energy: -30.839
flat angles P-C4'-P energy: -10.747
tors. eta vs tors. theta energy: -16.134
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: 10, replica: 3
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -224.437268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.437268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.437268 (E_RNA)
where:
Base-Base interactions energy: -125.215
where: short stacking energy: -64.912
Base-Backbone interact. energy: 1.856
local terms energy: -101.078253
where:
bonds (distance) C4'-P energy: -30.990
bonds (distance) P-C4' energy: -31.811
flat angles C4'-P-C4' energy: -29.933
flat angles P-C4'-P energy: -8.989
tors. eta vs tors. theta energy: 0.645
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: 5
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -542.529233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.529233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.529233 (E_RNA)
where:
Base-Base interactions energy: -361.938
where: short stacking energy: -172.112
Base-Backbone interact. energy: -0.041
local terms energy: -180.549967
where:
bonds (distance) C4'-P energy: -33.489
bonds (distance) P-C4' energy: -35.203
flat angles C4'-P-C4' energy: -37.971
flat angles P-C4'-P energy: -26.459
tors. eta vs tors. theta energy: -47.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -518.638228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.638228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.638228 (E_RNA)
where:
Base-Base interactions energy: -351.819
where: short stacking energy: -172.283
Base-Backbone interact. energy: -0.561
local terms energy: -166.257653
where:
bonds (distance) C4'-P energy: -29.912
bonds (distance) P-C4' energy: -34.469
flat angles C4'-P-C4' energy: -37.887
flat angles P-C4'-P energy: -19.254
tors. eta vs tors. theta energy: -44.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -505.626269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.626269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.626269 (E_RNA)
where:
Base-Base interactions energy: -336.745
where: short stacking energy: -155.320
Base-Backbone interact. energy: 0.328
local terms energy: -169.208446
where:
bonds (distance) C4'-P energy: -37.072
bonds (distance) P-C4' energy: -30.530
flat angles C4'-P-C4' energy: -41.141
flat angles P-C4'-P energy: -23.765
tors. eta vs tors. theta energy: -36.700
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: 10
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -403.919803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.919803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.919803 (E_RNA)
where:
Base-Base interactions energy: -254.977
where: short stacking energy: -130.265
Base-Backbone interact. energy: -0.570
local terms energy: -148.372274
where:
bonds (distance) C4'-P energy: -33.210
bonds (distance) P-C4' energy: -33.256
flat angles C4'-P-C4' energy: -31.334
flat angles P-C4'-P energy: -25.062
tors. eta vs tors. theta energy: -25.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -434.197200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.197200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.197200 (E_RNA)
where:
Base-Base interactions energy: -275.536
where: short stacking energy: -155.301
Base-Backbone interact. energy: -0.055
local terms energy: -158.605651
where:
bonds (distance) C4'-P energy: -28.299
bonds (distance) P-C4' energy: -32.935
flat angles C4'-P-C4' energy: -35.641
flat angles P-C4'-P energy: -22.558
tors. eta vs tors. theta energy: -39.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -364.696246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.696246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.696246 (E_RNA)
where:
Base-Base interactions energy: -228.509
where: short stacking energy: -129.458
Base-Backbone interact. energy: 0.281
local terms energy: -136.468123
where:
bonds (distance) C4'-P energy: -27.626
bonds (distance) P-C4' energy: -33.855
flat angles C4'-P-C4' energy: -29.965
flat angles P-C4'-P energy: -18.027
tors. eta vs tors. theta energy: -26.996
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: 8
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -326.042615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.042615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.042615 (E_RNA)
where:
Base-Base interactions energy: -199.143
where: short stacking energy: -103.655
Base-Backbone interact. energy: -0.482
local terms energy: -126.417725
where:
bonds (distance) C4'-P energy: -28.689
bonds (distance) P-C4' energy: -29.840
flat angles C4'-P-C4' energy: -24.288
flat angles P-C4'-P energy: -23.491
tors. eta vs tors. theta energy: -20.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -312.766556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.766556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.766556 (E_RNA)
where:
Base-Base interactions energy: -189.213
where: short stacking energy: -91.668
Base-Backbone interact. energy: -0.870
local terms energy: -122.683604
where:
bonds (distance) C4'-P energy: -33.141
bonds (distance) P-C4' energy: -33.869
flat angles C4'-P-C4' energy: -26.680
flat angles P-C4'-P energy: -18.506
tors. eta vs tors. theta energy: -10.489
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: 397
Temperature: 1.300000
Total energy: -246.153303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.153303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.153303 (E_RNA)
where:
Base-Base interactions energy: -127.123
where: short stacking energy: -82.607
Base-Backbone interact. energy: -1.310
local terms energy: -117.720397
where:
bonds (distance) C4'-P energy: -34.320
bonds (distance) P-C4' energy: -24.141
flat angles C4'-P-C4' energy: -29.644
flat angles P-C4'-P energy: -21.863
tors. eta vs tors. theta energy: -7.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -223.594529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.594529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.594529 (E_RNA)
where:
Base-Base interactions energy: -122.176
where: short stacking energy: -70.278
Base-Backbone interact. energy: 0.413
local terms energy: -101.831927
where:
bonds (distance) C4'-P energy: -27.045
bonds (distance) P-C4' energy: -29.748
flat angles C4'-P-C4' energy: -16.815
flat angles P-C4'-P energy: -12.116
tors. eta vs tors. theta energy: -16.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -549.017604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.017604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.017604 (E_RNA)
where:
Base-Base interactions energy: -357.424
where: short stacking energy: -185.099
Base-Backbone interact. energy: -0.602
local terms energy: -190.991901
where:
bonds (distance) C4'-P energy: -34.464
bonds (distance) P-C4' energy: -35.533
flat angles C4'-P-C4' energy: -39.312
flat angles P-C4'-P energy: -29.393
tors. eta vs tors. theta energy: -52.291
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: 2, replica: 6
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -504.614504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.614504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.614504 (E_RNA)
where:
Base-Base interactions energy: -332.227
where: short stacking energy: -171.206
Base-Backbone interact. energy: 0.662
local terms energy: -173.049435
where:
bonds (distance) C4'-P energy: -29.187
bonds (distance) P-C4' energy: -30.950
flat angles C4'-P-C4' energy: -42.609
flat angles P-C4'-P energy: -23.355
tors. eta vs tors. theta energy: -46.949
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: 4
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -542.211808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.211808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.211808 (E_RNA)
where:
Base-Base interactions energy: -371.617
where: short stacking energy: -180.905
Base-Backbone interact. energy: 0.199
local terms energy: -170.794359
where:
bonds (distance) C4'-P energy: -32.735
bonds (distance) P-C4' energy: -34.244
flat angles C4'-P-C4' energy: -34.314
flat angles P-C4'-P energy: -21.013
tors. eta vs tors. theta energy: -48.488
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: 10
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -400.613889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.613889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.613889 (E_RNA)
where:
Base-Base interactions energy: -257.367
where: short stacking energy: -130.801
Base-Backbone interact. energy: -0.845
local terms energy: -142.402288
where:
bonds (distance) C4'-P energy: -25.632
bonds (distance) P-C4' energy: -34.641
flat angles C4'-P-C4' energy: -38.465
flat angles P-C4'-P energy: -17.443
tors. eta vs tors. theta energy: -26.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -438.384647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.384647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.384647 (E_RNA)
where:
Base-Base interactions energy: -263.690
where: short stacking energy: -142.309
Base-Backbone interact. energy: -0.383
local terms energy: -174.312306
where:
bonds (distance) C4'-P energy: -30.994
bonds (distance) P-C4' energy: -36.526
flat angles C4'-P-C4' energy: -39.594
flat angles P-C4'-P energy: -20.518
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: 6, replica: 2
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -356.836709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.836709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.836709 (E_RNA)
where:
Base-Base interactions energy: -219.254
where: short stacking energy: -129.873
Base-Backbone interact. energy: 1.219
local terms energy: -138.800923
where:
bonds (distance) C4'-P energy: -19.333
bonds (distance) P-C4' energy: -38.755
flat angles C4'-P-C4' energy: -30.287
flat angles P-C4'-P energy: -23.124
tors. eta vs tors. theta energy: -27.302
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: 8
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -334.246601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.246601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.246601 (E_RNA)
where:
Base-Base interactions energy: -185.011
where: short stacking energy: -99.029
Base-Backbone interact. energy: -0.130
local terms energy: -149.105939
where:
bonds (distance) C4'-P energy: -26.763
bonds (distance) P-C4' energy: -37.226
flat angles C4'-P-C4' energy: -39.030
flat angles P-C4'-P energy: -19.789
tors. eta vs tors. theta energy: -26.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -318.976099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.976099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.976099 (E_RNA)
where:
Base-Base interactions energy: -179.838
where: short stacking energy: -91.938
Base-Backbone interact. energy: -0.507
local terms energy: -138.631351
where:
bonds (distance) C4'-P energy: -35.493
bonds (distance) P-C4' energy: -35.695
flat angles C4'-P-C4' energy: -30.859
flat angles P-C4'-P energy: -16.710
tors. eta vs tors. theta energy: -19.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -254.486306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.486306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.486306 (E_RNA)
where:
Base-Base interactions energy: -146.698
where: short stacking energy: -85.630
Base-Backbone interact. energy: -0.411
local terms energy: -107.377395
where:
bonds (distance) C4'-P energy: -34.691
bonds (distance) P-C4' energy: -22.770
flat angles C4'-P-C4' energy: -22.353
flat angles P-C4'-P energy: -14.239
tors. eta vs tors. theta energy: -13.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -228.880312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.880312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.880312 (E_RNA)
where:
Base-Base interactions energy: -106.364
where: short stacking energy: -62.637
Base-Backbone interact. energy: -0.299
local terms energy: -122.216881
where:
bonds (distance) C4'-P energy: -36.332
bonds (distance) P-C4' energy: -29.323
flat angles C4'-P-C4' energy: -35.526
flat angles P-C4'-P energy: -21.159
tors. eta vs tors. theta energy: 0.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -561.114265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.114265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.114265 (E_RNA)
where:
Base-Base interactions energy: -371.892
where: short stacking energy: -187.785
Base-Backbone interact. energy: -0.931
local terms energy: -188.291438
where:
bonds (distance) C4'-P energy: -36.497
bonds (distance) P-C4' energy: -35.460
flat angles C4'-P-C4' energy: -35.719
flat angles P-C4'-P energy: -28.204
tors. eta vs tors. theta energy: -52.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -522.282949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.282949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.282949 (E_RNA)
where:
Base-Base interactions energy: -362.105
where: short stacking energy: -157.239
Base-Backbone interact. energy: 0.776
local terms energy: -160.954032
where:
bonds (distance) C4'-P energy: -31.997
bonds (distance) P-C4' energy: -34.624
flat angles C4'-P-C4' energy: -34.559
flat angles P-C4'-P energy: -17.862
tors. eta vs tors. theta energy: -41.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -481.731455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.731455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.731455 (E_RNA)
where:
Base-Base interactions energy: -321.865
where: short stacking energy: -155.249
Base-Backbone interact. energy: 0.119
local terms energy: -159.985328
where:
bonds (distance) C4'-P energy: -31.618
bonds (distance) P-C4' energy: -32.132
flat angles C4'-P-C4' energy: -39.486
flat angles P-C4'-P energy: -17.710
tors. eta vs tors. theta energy: -39.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -459.956964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.956964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.956964 (E_RNA)
where:
Base-Base interactions energy: -277.478
where: short stacking energy: -154.366
Base-Backbone interact. energy: 0.038
local terms energy: -182.517366
where:
bonds (distance) C4'-P energy: -41.445
bonds (distance) P-C4' energy: -37.401
flat angles C4'-P-C4' energy: -40.054
flat angles P-C4'-P energy: -23.171
tors. eta vs tors. theta energy: -40.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -386.971214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.971214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.971214 (E_RNA)
where:
Base-Base interactions energy: -254.101
where: short stacking energy: -128.867
Base-Backbone interact. energy: 0.826
local terms energy: -133.695993
where:
bonds (distance) C4'-P energy: -19.070
bonds (distance) P-C4' energy: -28.536
flat angles C4'-P-C4' energy: -39.154
flat angles P-C4'-P energy: -21.922
tors. eta vs tors. theta energy: -25.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -348.206264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.206264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.206264 (E_RNA)
where:
Base-Base interactions energy: -202.575
where: short stacking energy: -112.285
Base-Backbone interact. energy: -0.674
local terms energy: -144.957844
where:
bonds (distance) C4'-P energy: -32.258
bonds (distance) P-C4' energy: -37.795
flat angles C4'-P-C4' energy: -30.674
flat angles P-C4'-P energy: -27.646
tors. eta vs tors. theta energy: -16.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -339.347581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.347581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.347581 (E_RNA)
where:
Base-Base interactions energy: -210.858
where: short stacking energy: -107.352
Base-Backbone interact. energy: -0.209
local terms energy: -128.280719
where:
bonds (distance) C4'-P energy: -29.791
bonds (distance) P-C4' energy: -25.041
flat angles C4'-P-C4' energy: -32.575
flat angles P-C4'-P energy: -11.548
tors. eta vs tors. theta energy: -29.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -318.795045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.795045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.795045 (E_RNA)
where:
Base-Base interactions energy: -202.939
where: short stacking energy: -90.183
Base-Backbone interact. energy: 3.876
local terms energy: -119.732121
where:
bonds (distance) C4'-P energy: -20.318
bonds (distance) P-C4' energy: -26.516
flat angles C4'-P-C4' energy: -33.661
flat angles P-C4'-P energy: -22.145
tors. eta vs tors. theta energy: -17.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -304.920259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.920259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.920259 (E_RNA)
where:
Base-Base interactions energy: -196.690
where: short stacking energy: -92.953
Base-Backbone interact. energy: -0.712
local terms energy: -107.517924
where:
bonds (distance) C4'-P energy: -23.585
bonds (distance) P-C4' energy: -23.129
flat angles C4'-P-C4' energy: -27.781
flat angles P-C4'-P energy: -24.927
tors. eta vs tors. theta energy: -8.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -220.634089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.634089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.634089 (E_RNA)
where:
Base-Base interactions energy: -108.793
where: short stacking energy: -60.905
Base-Backbone interact. energy: 0.175
local terms energy: -112.015465
where:
bonds (distance) C4'-P energy: -32.584
bonds (distance) P-C4' energy: -28.289
flat angles C4'-P-C4' energy: -30.946
flat angles P-C4'-P energy: -16.405
tors. eta vs tors. theta energy: -3.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -555.566788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.566788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.566788 (E_RNA)
where:
Base-Base interactions energy: -382.843
where: short stacking energy: -188.684
Base-Backbone interact. energy: -0.223
local terms energy: -172.500737
where:
bonds (distance) C4'-P energy: -34.875
bonds (distance) P-C4' energy: -29.695
flat angles C4'-P-C4' energy: -40.072
flat angles P-C4'-P energy: -20.730
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: 5
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -565.496116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.496116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.496116 (E_RNA)
where:
Base-Base interactions energy: -371.732
where: short stacking energy: -193.679
Base-Backbone interact. energy: -0.042
local terms energy: -193.722053
where:
bonds (distance) C4'-P energy: -32.510
bonds (distance) P-C4' energy: -33.202
flat angles C4'-P-C4' energy: -40.937
flat angles P-C4'-P energy: -29.881
tors. eta vs tors. theta energy: -57.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -472.957550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.957550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.957550 (E_RNA)
where:
Base-Base interactions energy: -313.789
where: short stacking energy: -149.458
Base-Backbone interact. energy: 0.060
local terms energy: -159.228811
where:
bonds (distance) C4'-P energy: -28.649
bonds (distance) P-C4' energy: -35.973
flat angles C4'-P-C4' energy: -30.696
flat angles P-C4'-P energy: -26.491
tors. eta vs tors. theta energy: -37.420
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: 9
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -434.944684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.944684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.944684 (E_RNA)
where:
Base-Base interactions energy: -273.769
where: short stacking energy: -140.450
Base-Backbone interact. energy: -0.541
local terms energy: -160.634260
where:
bonds (distance) C4'-P energy: -28.797
bonds (distance) P-C4' energy: -37.037
flat angles C4'-P-C4' energy: -34.109
flat angles P-C4'-P energy: -24.987
tors. eta vs tors. theta energy: -35.704
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: 8
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -367.682937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.682937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.682937 (E_RNA)
where:
Base-Base interactions energy: -218.885
where: short stacking energy: -115.621
Base-Backbone interact. energy: -0.230
local terms energy: -148.568307
where:
bonds (distance) C4'-P energy: -34.466
bonds (distance) P-C4' energy: -24.710
flat angles C4'-P-C4' energy: -33.884
flat angles P-C4'-P energy: -24.752
tors. eta vs tors. theta energy: -30.756
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: 10
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -352.863158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.863158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.863158 (E_RNA)
where:
Base-Base interactions energy: -210.170
where: short stacking energy: -94.906
Base-Backbone interact. energy: -0.176
local terms energy: -142.517340
where:
bonds (distance) C4'-P energy: -33.595
bonds (distance) P-C4' energy: -29.568
flat angles C4'-P-C4' energy: -31.534
flat angles P-C4'-P energy: -23.173
tors. eta vs tors. theta energy: -24.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -344.082008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.082008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.082008 (E_RNA)
where:
Base-Base interactions energy: -204.857
where: short stacking energy: -104.550
Base-Backbone interact. energy: 1.612
local terms energy: -140.836552
where:
bonds (distance) C4'-P energy: -26.153
bonds (distance) P-C4' energy: -30.586
flat angles C4'-P-C4' energy: -30.807
flat angles P-C4'-P energy: -33.527
tors. eta vs tors. theta energy: -19.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -305.749472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.749472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.749472 (E_RNA)
where:
Base-Base interactions energy: -181.134
where: short stacking energy: -82.760
Base-Backbone interact. energy: -0.796
local terms energy: -123.819506
where:
bonds (distance) C4'-P energy: -26.516
bonds (distance) P-C4' energy: -34.123
flat angles C4'-P-C4' energy: -32.926
flat angles P-C4'-P energy: -18.226
tors. eta vs tors. theta energy: -12.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -316.297265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.297265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.297265 (E_RNA)
where:
Base-Base interactions energy: -186.387
where: short stacking energy: -87.143
Base-Backbone interact. energy: -0.288
local terms energy: -129.622120
where:
bonds (distance) C4'-P energy: -30.673
bonds (distance) P-C4' energy: -21.601
flat angles C4'-P-C4' energy: -32.565
flat angles P-C4'-P energy: -24.257
tors. eta vs tors. theta energy: -20.525
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: 10, replica: 7
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -228.134291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.134291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.134291 (E_RNA)
where:
Base-Base interactions energy: -108.453
where: short stacking energy: -68.807
Base-Backbone interact. energy: -0.489
local terms energy: -119.192843
where:
bonds (distance) C4'-P energy: -32.388
bonds (distance) P-C4' energy: -32.809
flat angles C4'-P-C4' energy: -27.714
flat angles P-C4'-P energy: -16.564
tors. eta vs tors. theta energy: -9.717
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: 1, replica: 4
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -549.917792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.917792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.917792 (E_RNA)
where:
Base-Base interactions energy: -370.632
where: short stacking energy: -176.536
Base-Backbone interact. energy: -0.003
local terms energy: -179.282095
where:
bonds (distance) C4'-P energy: -29.727
bonds (distance) P-C4' energy: -37.522
flat angles C4'-P-C4' energy: -37.216
flat angles P-C4'-P energy: -27.987
tors. eta vs tors. theta energy: -46.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -550.920871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.920871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.920871 (E_RNA)
where:
Base-Base interactions energy: -367.057
where: short stacking energy: -178.460
Base-Backbone interact. energy: 1.426
local terms energy: -185.290635
where:
bonds (distance) C4'-P energy: -36.100
bonds (distance) P-C4' energy: -32.932
flat angles C4'-P-C4' energy: -36.968
flat angles P-C4'-P energy: -27.080
tors. eta vs tors. theta energy: -52.211
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: 3, replica: 6
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -471.789259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.789259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.789259 (E_RNA)
where:
Base-Base interactions energy: -306.806
where: short stacking energy: -141.816
Base-Backbone interact. energy: -0.314
local terms energy: -164.669486
where:
bonds (distance) C4'-P energy: -34.272
bonds (distance) P-C4' energy: -37.270
flat angles C4'-P-C4' energy: -35.262
flat angles P-C4'-P energy: -21.573
tors. eta vs tors. theta energy: -36.294
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: 4, replica: 9
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -480.119582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.119582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.119582 (E_RNA)
where:
Base-Base interactions energy: -301.598
where: short stacking energy: -155.209
Base-Backbone interact. energy: -1.228
local terms energy: -177.293945
where:
bonds (distance) C4'-P energy: -33.930
bonds (distance) P-C4' energy: -36.580
flat angles C4'-P-C4' energy: -36.401
flat angles P-C4'-P energy: -21.579
tors. eta vs tors. theta energy: -48.804
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: 8
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -354.849366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.849366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.849366 (E_RNA)
where:
Base-Base interactions energy: -217.885
where: short stacking energy: -122.645
Base-Backbone interact. energy: 0.010
local terms energy: -136.974955
where:
bonds (distance) C4'-P energy: -33.774
bonds (distance) P-C4' energy: -27.853
flat angles C4'-P-C4' energy: -27.632
flat angles P-C4'-P energy: -20.693
tors. eta vs tors. theta energy: -27.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -361.413895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.413895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.413895 (E_RNA)
where:
Base-Base interactions energy: -206.941
where: short stacking energy: -110.360
Base-Backbone interact. energy: -0.701
local terms energy: -153.772273
where:
bonds (distance) C4'-P energy: -32.541
bonds (distance) P-C4' energy: -36.176
flat angles C4'-P-C4' energy: -37.205
flat angles P-C4'-P energy: -22.638
tors. eta vs tors. theta energy: -25.212
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: 10
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -338.447645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.447645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.447645 (E_RNA)
where:
Base-Base interactions energy: -208.714
where: short stacking energy: -83.482
Base-Backbone interact. energy: 0.632
local terms energy: -130.364949
where:
bonds (distance) C4'-P energy: -28.736
bonds (distance) P-C4' energy: -34.837
flat angles C4'-P-C4' energy: -26.286
flat angles P-C4'-P energy: -27.211
tors. eta vs tors. theta energy: -13.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -318.211767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.211767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.211767 (E_RNA)
where:
Base-Base interactions energy: -181.449
where: short stacking energy: -83.133
Base-Backbone interact. energy: 0.977
local terms energy: -137.739457
where:
bonds (distance) C4'-P energy: -32.742
bonds (distance) P-C4' energy: -32.488
flat angles C4'-P-C4' energy: -31.208
flat angles P-C4'-P energy: -18.617
tors. eta vs tors. theta energy: -22.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -300.682726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.682726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.682726 (E_RNA)
where:
Base-Base interactions energy: -182.583
where: short stacking energy: -90.239
Base-Backbone interact. energy: 1.465
local terms energy: -119.564908
where:
bonds (distance) C4'-P energy: -35.114
bonds (distance) P-C4' energy: -28.340
flat angles C4'-P-C4' energy: -28.840
flat angles P-C4'-P energy: -16.998
tors. eta vs tors. theta energy: -10.272
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: 10, replica: 7
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -213.712395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.712395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.712395 (E_RNA)
where:
Base-Base interactions energy: -112.273
where: short stacking energy: -72.596
Base-Backbone interact. energy: 1.245
local terms energy: -102.684526
where:
bonds (distance) C4'-P energy: -29.266
bonds (distance) P-C4' energy: -29.779
flat angles C4'-P-C4' energy: -18.450
flat angles P-C4'-P energy: -17.321
tors. eta vs tors. theta energy: -7.869
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: 5
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -548.489574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.489574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.489574 (E_RNA)
where:
Base-Base interactions energy: -363.934
where: short stacking energy: -185.575
Base-Backbone interact. energy: -0.689
local terms energy: -183.866159
where:
bonds (distance) C4'-P energy: -33.787
bonds (distance) P-C4' energy: -33.099
flat angles C4'-P-C4' energy: -38.149
flat angles P-C4'-P energy: -27.136
tors. eta vs tors. theta energy: -51.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -544.379900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.379900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.379900 (E_RNA)
where:
Base-Base interactions energy: -366.638
where: short stacking energy: -178.250
Base-Backbone interact. energy: -0.575
local terms energy: -177.167243
where:
bonds (distance) C4'-P energy: -33.492
bonds (distance) P-C4' energy: -23.791
flat angles C4'-P-C4' energy: -40.771
flat angles P-C4'-P energy: -25.834
tors. eta vs tors. theta energy: -53.279
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: 402
Temperature: 1.000000
Total energy: -470.555091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.555091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.555091 (E_RNA)
where:
Base-Base interactions energy: -312.298
where: short stacking energy: -150.095
Base-Backbone interact. energy: -0.501
local terms energy: -157.756239
where:
bonds (distance) C4'-P energy: -30.952
bonds (distance) P-C4' energy: -30.476
flat angles C4'-P-C4' energy: -31.747
flat angles P-C4'-P energy: -27.405
tors. eta vs tors. theta energy: -37.175
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: 402
Temperature: 1.050000
Total energy: -456.104800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.104800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.104800 (E_RNA)
where:
Base-Base interactions energy: -299.247
where: short stacking energy: -137.262
Base-Backbone interact. energy: -0.704
local terms energy: -156.153541
where:
bonds (distance) C4'-P energy: -27.793
bonds (distance) P-C4' energy: -29.615
flat angles C4'-P-C4' energy: -37.816
flat angles P-C4'-P energy: -24.266
tors. eta vs tors. theta energy: -36.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -366.103441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.103441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.103441 (E_RNA)
where:
Base-Base interactions energy: -223.982
where: short stacking energy: -120.613
Base-Backbone interact. energy: -0.094
local terms energy: -142.027783
where:
bonds (distance) C4'-P energy: -32.472
bonds (distance) P-C4' energy: -30.716
flat angles C4'-P-C4' energy: -30.861
flat angles P-C4'-P energy: -21.461
tors. eta vs tors. theta energy: -26.519
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: 402
Temperature: 1.150000
Total energy: -341.980224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.980224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.980224 (E_RNA)
where:
Base-Base interactions energy: -212.547
where: short stacking energy: -107.499
Base-Backbone interact. energy: -0.460
local terms energy: -128.973538
where:
bonds (distance) C4'-P energy: -33.294
bonds (distance) P-C4' energy: -30.193
flat angles C4'-P-C4' energy: -30.313
flat angles P-C4'-P energy: -17.901
tors. eta vs tors. theta energy: -17.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -332.483546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.483546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.483546 (E_RNA)
where:
Base-Base interactions energy: -204.432
where: short stacking energy: -101.602
Base-Backbone interact. energy: -0.590
local terms energy: -127.462014
where:
bonds (distance) C4'-P energy: -28.477
bonds (distance) P-C4' energy: -31.699
flat angles C4'-P-C4' energy: -28.993
flat angles P-C4'-P energy: -24.376
tors. eta vs tors. theta energy: -13.916
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: 3
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -291.107596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.107596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.107596 (E_RNA)
where:
Base-Base interactions energy: -158.405
where: short stacking energy: -74.310
Base-Backbone interact. energy: -0.772
local terms energy: -131.929857
where:
bonds (distance) C4'-P energy: -27.192
bonds (distance) P-C4' energy: -35.551
flat angles C4'-P-C4' energy: -30.220
flat angles P-C4'-P energy: -24.000
tors. eta vs tors. theta energy: -14.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -332.632888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.632888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.632888 (E_RNA)
where:
Base-Base interactions energy: -205.115
where: short stacking energy: -95.335
Base-Backbone interact. energy: -0.314
local terms energy: -127.203400
where:
bonds (distance) C4'-P energy: -20.636
bonds (distance) P-C4' energy: -31.427
flat angles C4'-P-C4' energy: -34.935
flat angles P-C4'-P energy: -20.232
tors. eta vs tors. theta energy: -19.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -213.480378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.480378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.480378 (E_RNA)
where:
Base-Base interactions energy: -109.965
where: short stacking energy: -49.753
Base-Backbone interact. energy: -0.518
local terms energy: -102.997289
where:
bonds (distance) C4'-P energy: -29.113
bonds (distance) P-C4' energy: -36.389
flat angles C4'-P-C4' energy: -17.737
flat angles P-C4'-P energy: -16.514
tors. eta vs tors. theta energy: -3.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -553.087753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.087753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.087753 (E_RNA)
where:
Base-Base interactions energy: -369.580
where: short stacking energy: -185.441
Base-Backbone interact. energy: -0.440
local terms energy: -183.067584
where:
bonds (distance) C4'-P energy: -37.809
bonds (distance) P-C4' energy: -35.541
flat angles C4'-P-C4' energy: -36.183
flat angles P-C4'-P energy: -22.568
tors. eta vs tors. theta energy: -50.967
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: 403
Temperature: 0.950000
Total energy: -548.418456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.418456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.418456 (E_RNA)
where:
Base-Base interactions energy: -356.602
where: short stacking energy: -166.305
Base-Backbone interact. energy: 0.362
local terms energy: -192.178135
where:
bonds (distance) C4'-P energy: -40.917
bonds (distance) P-C4' energy: -35.387
flat angles C4'-P-C4' energy: -32.465
flat angles P-C4'-P energy: -30.642
tors. eta vs tors. theta energy: -52.767
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: 9
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -508.375661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.375661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.375661 (E_RNA)
where:
Base-Base interactions energy: -333.983
where: short stacking energy: -177.571
Base-Backbone interact. energy: 0.226
local terms energy: -174.618619
where:
bonds (distance) C4'-P energy: -30.270
bonds (distance) P-C4' energy: -29.342
flat angles C4'-P-C4' energy: -38.324
flat angles P-C4'-P energy: -27.645
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: 4, replica: 6
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -453.869553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.869553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.869553 (E_RNA)
where:
Base-Base interactions energy: -293.189
where: short stacking energy: -135.666
Base-Backbone interact. energy: -0.759
local terms energy: -159.922094
where:
bonds (distance) C4'-P energy: -35.839
bonds (distance) P-C4' energy: -27.815
flat angles C4'-P-C4' energy: -34.761
flat angles P-C4'-P energy: -23.080
tors. eta vs tors. theta energy: -38.427
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: 2
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -373.065066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.065066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.065066 (E_RNA)
where:
Base-Base interactions energy: -224.733
where: short stacking energy: -124.134
Base-Backbone interact. energy: -0.966
local terms energy: -147.365425
where:
bonds (distance) C4'-P energy: -31.091
bonds (distance) P-C4' energy: -32.584
flat angles C4'-P-C4' energy: -34.556
flat angles P-C4'-P energy: -21.883
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: 6, replica: 10
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -329.750432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.750432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.750432 (E_RNA)
where:
Base-Base interactions energy: -197.201
where: short stacking energy: -96.859
Base-Backbone interact. energy: -0.695
local terms energy: -131.854271
where:
bonds (distance) C4'-P energy: -23.079
bonds (distance) P-C4' energy: -39.480
flat angles C4'-P-C4' energy: -33.019
flat angles P-C4'-P energy: -18.999
tors. eta vs tors. theta energy: -17.278
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: 7, replica: 8
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -338.984924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.984924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.984924 (E_RNA)
where:
Base-Base interactions energy: -199.819
where: short stacking energy: -94.240
Base-Backbone interact. energy: -0.569
local terms energy: -138.596230
where:
bonds (distance) C4'-P energy: -32.220
bonds (distance) P-C4' energy: -28.545
flat angles C4'-P-C4' energy: -40.465
flat angles P-C4'-P energy: -21.399
tors. eta vs tors. theta energy: -15.968
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: 8, replica: 1
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -313.963997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.963997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.963997 (E_RNA)
where:
Base-Base interactions energy: -193.225
where: short stacking energy: -101.159
Base-Backbone interact. energy: 2.324
local terms energy: -123.062603
where:
bonds (distance) C4'-P energy: -33.910
bonds (distance) P-C4' energy: -30.825
flat angles C4'-P-C4' energy: -28.297
flat angles P-C4'-P energy: -21.280
tors. eta vs tors. theta energy: -8.751
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: 9, replica: 3
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -260.626543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.626543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.626543 (E_RNA)
where:
Base-Base interactions energy: -154.763
where: short stacking energy: -75.052
Base-Backbone interact. energy: 0.938
local terms energy: -106.801448
where:
bonds (distance) C4'-P energy: -26.288
bonds (distance) P-C4' energy: -30.935
flat angles C4'-P-C4' energy: -19.725
flat angles P-C4'-P energy: -22.214
tors. eta vs tors. theta energy: -7.639
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: 10, replica: 7
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -234.993011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.993011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.993011 (E_RNA)
where:
Base-Base interactions energy: -113.847
where: short stacking energy: -62.053
Base-Backbone interact. energy: 0.840
local terms energy: -121.986342
where:
bonds (distance) C4'-P energy: -31.618
bonds (distance) P-C4' energy: -34.541
flat angles C4'-P-C4' energy: -29.995
flat angles P-C4'-P energy: -13.740
tors. eta vs tors. theta energy: -12.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -565.774604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.774604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.774604 (E_RNA)
where:
Base-Base interactions energy: -375.640
where: short stacking energy: -187.204
Base-Backbone interact. energy: -0.172
local terms energy: -189.963132
where:
bonds (distance) C4'-P energy: -32.510
bonds (distance) P-C4' energy: -35.472
flat angles C4'-P-C4' energy: -39.427
flat angles P-C4'-P energy: -31.396
tors. eta vs tors. theta energy: -51.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -542.707941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.707941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.707941 (E_RNA)
where:
Base-Base interactions energy: -353.129
where: short stacking energy: -175.231
Base-Backbone interact. energy: -0.323
local terms energy: -189.255627
where:
bonds (distance) C4'-P energy: -35.615
bonds (distance) P-C4' energy: -36.345
flat angles C4'-P-C4' energy: -36.525
flat angles P-C4'-P energy: -28.516
tors. eta vs tors. theta energy: -52.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -502.583186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.583186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.583186 (E_RNA)
where:
Base-Base interactions energy: -334.007
where: short stacking energy: -163.607
Base-Backbone interact. energy: -0.248
local terms energy: -168.328164
where:
bonds (distance) C4'-P energy: -31.615
bonds (distance) P-C4' energy: -35.532
flat angles C4'-P-C4' energy: -31.608
flat angles P-C4'-P energy: -25.883
tors. eta vs tors. theta energy: -43.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -477.169772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.169772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.169772 (E_RNA)
where:
Base-Base interactions energy: -304.392
where: short stacking energy: -154.998
Base-Backbone interact. energy: -0.204
local terms energy: -172.572870
where:
bonds (distance) C4'-P energy: -34.626
bonds (distance) P-C4' energy: -31.733
flat angles C4'-P-C4' energy: -37.757
flat angles P-C4'-P energy: -21.485
tors. eta vs tors. theta energy: -46.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -360.363270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.363270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.363270 (E_RNA)
where:
Base-Base interactions energy: -225.413
where: short stacking energy: -106.859
Base-Backbone interact. energy: -0.278
local terms energy: -134.672792
where:
bonds (distance) C4'-P energy: -33.519
bonds (distance) P-C4' energy: -33.688
flat angles C4'-P-C4' energy: -26.920
flat angles P-C4'-P energy: -22.238
tors. eta vs tors. theta energy: -18.307
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: 6, replica: 2
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -360.244885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.244885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.244885 (E_RNA)
where:
Base-Base interactions energy: -210.930
where: short stacking energy: -110.247
Base-Backbone interact. energy: -0.653
local terms energy: -148.661493
where:
bonds (distance) C4'-P energy: -36.837
bonds (distance) P-C4' energy: -37.015
flat angles C4'-P-C4' energy: -34.268
flat angles P-C4'-P energy: -21.363
tors. eta vs tors. theta energy: -19.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -333.490385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.490385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.490385 (E_RNA)
where:
Base-Base interactions energy: -203.603
where: short stacking energy: -97.327
Base-Backbone interact. energy: -1.218
local terms energy: -128.669949
where:
bonds (distance) C4'-P energy: -30.532
bonds (distance) P-C4' energy: -28.776
flat angles C4'-P-C4' energy: -31.369
flat angles P-C4'-P energy: -18.646
tors. eta vs tors. theta energy: -19.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -306.181269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.181269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.181269 (E_RNA)
where:
Base-Base interactions energy: -178.150
where: short stacking energy: -94.896
Base-Backbone interact. energy: 0.061
local terms energy: -128.093118
where:
bonds (distance) C4'-P energy: -30.932
bonds (distance) P-C4' energy: -33.908
flat angles C4'-P-C4' energy: -25.794
flat angles P-C4'-P energy: -22.898
tors. eta vs tors. theta energy: -14.562
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: 7
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -255.227222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.227222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.227222 (E_RNA)
where:
Base-Base interactions energy: -139.586
where: short stacking energy: -79.407
Base-Backbone interact. energy: -0.234
local terms energy: -115.406351
where:
bonds (distance) C4'-P energy: -32.023
bonds (distance) P-C4' energy: -26.387
flat angles C4'-P-C4' energy: -22.754
flat angles P-C4'-P energy: -18.278
tors. eta vs tors. theta energy: -15.965
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: 404
Temperature: 1.350000
Total energy: -249.859225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.859225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.859225 (E_RNA)
where:
Base-Base interactions energy: -163.080
where: short stacking energy: -72.756
Base-Backbone interact. energy: -0.687
local terms energy: -86.092040
where:
bonds (distance) C4'-P energy: -26.764
bonds (distance) P-C4' energy: -24.955
flat angles C4'-P-C4' energy: -18.795
flat angles P-C4'-P energy: -8.983
tors. eta vs tors. theta energy: -6.595
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: 5
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -565.537650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.537650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.537650 (E_RNA)
where:
Base-Base interactions energy: -369.655
where: short stacking energy: -193.569
Base-Backbone interact. energy: -0.159
local terms energy: -195.723433
where:
bonds (distance) C4'-P energy: -35.068
bonds (distance) P-C4' energy: -36.570
flat angles C4'-P-C4' energy: -40.613
flat angles P-C4'-P energy: -28.169
tors. eta vs tors. theta energy: -55.303
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: 4
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -534.099541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.099541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.099541 (E_RNA)
where:
Base-Base interactions energy: -349.499
where: short stacking energy: -165.237
Base-Backbone interact. energy: -0.584
local terms energy: -184.016660
where:
bonds (distance) C4'-P energy: -39.312
bonds (distance) P-C4' energy: -40.065
flat angles C4'-P-C4' energy: -38.431
flat angles P-C4'-P energy: -20.433
tors. eta vs tors. theta energy: -45.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -478.600614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.600614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.600614 (E_RNA)
where:
Base-Base interactions energy: -318.146
where: short stacking energy: -151.123
Base-Backbone interact. energy: 2.779
local terms energy: -163.233754
where:
bonds (distance) C4'-P energy: -32.975
bonds (distance) P-C4' energy: -32.137
flat angles C4'-P-C4' energy: -30.563
flat angles P-C4'-P energy: -28.075
tors. eta vs tors. theta energy: -39.484
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: 9
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -501.368502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.368502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.368502 (E_RNA)
where:
Base-Base interactions energy: -328.287
where: short stacking energy: -161.933
Base-Backbone interact. energy: -0.206
local terms energy: -172.875797
where:
bonds (distance) C4'-P energy: -29.141
bonds (distance) P-C4' energy: -34.987
flat angles C4'-P-C4' energy: -37.799
flat angles P-C4'-P energy: -23.661
tors. eta vs tors. theta energy: -47.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -376.355404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.355404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.355404 (E_RNA)
where:
Base-Base interactions energy: -236.781
where: short stacking energy: -126.278
Base-Backbone interact. energy: 1.212
local terms energy: -140.787069
where:
bonds (distance) C4'-P energy: -23.849
bonds (distance) P-C4' energy: -33.066
flat angles C4'-P-C4' energy: -39.312
flat angles P-C4'-P energy: -21.878
tors. eta vs tors. theta energy: -22.682
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: 8
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -380.542805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.542805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.542805 (E_RNA)
where:
Base-Base interactions energy: -228.630
where: short stacking energy: -125.502
Base-Backbone interact. energy: -0.339
local terms energy: -151.573482
where:
bonds (distance) C4'-P energy: -25.405
bonds (distance) P-C4' energy: -32.154
flat angles C4'-P-C4' energy: -38.261
flat angles P-C4'-P energy: -24.245
tors. eta vs tors. theta energy: -31.508
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: 7, replica: 2
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -320.810105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.810105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.810105 (E_RNA)
where:
Base-Base interactions energy: -200.564
where: short stacking energy: -92.048
Base-Backbone interact. energy: -1.048
local terms energy: -119.197296
where:
bonds (distance) C4'-P energy: -34.244
bonds (distance) P-C4' energy: -23.053
flat angles C4'-P-C4' energy: -31.753
flat angles P-C4'-P energy: -17.352
tors. eta vs tors. theta energy: -12.794
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: 1
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -344.829304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.829304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.829304 (E_RNA)
where:
Base-Base interactions energy: -210.575
where: short stacking energy: -78.412
Base-Backbone interact. energy: -0.299
local terms energy: -133.954845
where:
bonds (distance) C4'-P energy: -33.973
bonds (distance) P-C4' energy: -34.551
flat angles C4'-P-C4' energy: -23.758
flat angles P-C4'-P energy: -21.551
tors. eta vs tors. theta energy: -20.122
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: 9, replica: 7
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -235.888592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.888592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.888592 (E_RNA)
where:
Base-Base interactions energy: -121.262
where: short stacking energy: -72.366
Base-Backbone interact. energy: -0.713
local terms energy: -113.913857
where:
bonds (distance) C4'-P energy: -32.368
bonds (distance) P-C4' energy: -24.972
flat angles C4'-P-C4' energy: -31.969
flat angles P-C4'-P energy: -7.250
tors. eta vs tors. theta energy: -17.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -263.034175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.034175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.034175 (E_RNA)
where:
Base-Base interactions energy: -149.237
where: short stacking energy: -78.394
Base-Backbone interact. energy: 0.145
local terms energy: -113.942319
where:
bonds (distance) C4'-P energy: -26.035
bonds (distance) P-C4' energy: -32.780
flat angles C4'-P-C4' energy: -23.151
flat angles P-C4'-P energy: -21.868
tors. eta vs tors. theta energy: -10.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -565.545412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.545412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.545412 (E_RNA)
where:
Base-Base interactions energy: -378.821
where: short stacking energy: -193.931
Base-Backbone interact. energy: -0.122
local terms energy: -186.602301
where:
bonds (distance) C4'-P energy: -33.537
bonds (distance) P-C4' energy: -34.755
flat angles C4'-P-C4' energy: -40.595
flat angles P-C4'-P energy: -24.565
tors. eta vs tors. theta energy: -53.150
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: 4
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -548.551860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.551860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.551860 (E_RNA)
where:
Base-Base interactions energy: -370.127
where: short stacking energy: -177.964
Base-Backbone interact. energy: -0.460
local terms energy: -177.964753
where:
bonds (distance) C4'-P energy: -29.127
bonds (distance) P-C4' energy: -35.583
flat angles C4'-P-C4' energy: -34.919
flat angles P-C4'-P energy: -31.239
tors. eta vs tors. theta energy: -47.097
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: 3, replica: 6
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -472.929359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.929359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.929359 (E_RNA)
where:
Base-Base interactions energy: -305.965
where: short stacking energy: -142.100
Base-Backbone interact. energy: 0.017
local terms energy: -166.981797
where:
bonds (distance) C4'-P energy: -31.693
bonds (distance) P-C4' energy: -34.314
flat angles C4'-P-C4' energy: -34.918
flat angles P-C4'-P energy: -20.364
tors. eta vs tors. theta energy: -45.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -454.484309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.484309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.484309 (E_RNA)
where:
Base-Base interactions energy: -287.619
where: short stacking energy: -138.288
Base-Backbone interact. energy: -0.572
local terms energy: -166.293333
where:
bonds (distance) C4'-P energy: -36.436
bonds (distance) P-C4' energy: -33.060
flat angles C4'-P-C4' energy: -37.028
flat angles P-C4'-P energy: -22.742
tors. eta vs tors. theta energy: -37.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -369.514435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.514435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.514435 (E_RNA)
where:
Base-Base interactions energy: -219.479
where: short stacking energy: -116.132
Base-Backbone interact. energy: -0.276
local terms energy: -149.760137
where:
bonds (distance) C4'-P energy: -31.580
bonds (distance) P-C4' energy: -24.964
flat angles C4'-P-C4' energy: -37.578
flat angles P-C4'-P energy: -24.847
tors. eta vs tors. theta energy: -30.791
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: 6, replica: 10
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -359.477766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.477766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.477766 (E_RNA)
where:
Base-Base interactions energy: -233.592
where: short stacking energy: -104.842
Base-Backbone interact. energy: -0.472
local terms energy: -125.414340
where:
bonds (distance) C4'-P energy: -25.625
bonds (distance) P-C4' energy: -28.683
flat angles C4'-P-C4' energy: -35.520
flat angles P-C4'-P energy: -23.988
tors. eta vs tors. theta energy: -11.598
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: 1
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -342.656037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.656037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.656037 (E_RNA)
where:
Base-Base interactions energy: -201.949
where: short stacking energy: -110.114
Base-Backbone interact. energy: -0.280
local terms energy: -140.427435
where:
bonds (distance) C4'-P energy: -27.645
bonds (distance) P-C4' energy: -31.706
flat angles C4'-P-C4' energy: -32.628
flat angles P-C4'-P energy: -21.060
tors. eta vs tors. theta energy: -27.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -317.812978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.812978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.812978 (E_RNA)
where:
Base-Base interactions energy: -184.645
where: short stacking energy: -88.544
Base-Backbone interact. energy: -0.519
local terms energy: -132.649265
where:
bonds (distance) C4'-P energy: -35.518
bonds (distance) P-C4' energy: -30.282
flat angles C4'-P-C4' energy: -36.086
flat angles P-C4'-P energy: -12.913
tors. eta vs tors. theta energy: -17.850
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: 3
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -255.247682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.247682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.247682 (E_RNA)
where:
Base-Base interactions energy: -141.813
where: short stacking energy: -75.246
Base-Backbone interact. energy: 1.226
local terms energy: -114.660369
where:
bonds (distance) C4'-P energy: -29.749
bonds (distance) P-C4' energy: -33.125
flat angles C4'-P-C4' energy: -18.924
flat angles P-C4'-P energy: -23.999
tors. eta vs tors. theta energy: -8.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -230.107008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.107008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.107008 (E_RNA)
where:
Base-Base interactions energy: -124.600
where: short stacking energy: -81.525
Base-Backbone interact. energy: 0.081
local terms energy: -105.588668
where:
bonds (distance) C4'-P energy: -31.276
bonds (distance) P-C4' energy: -26.034
flat angles C4'-P-C4' energy: -23.506
flat angles P-C4'-P energy: -15.110
tors. eta vs tors. theta energy: -9.662
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: 5
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -560.024951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.024951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.024951 (E_RNA)
where:
Base-Base interactions energy: -375.017
where: short stacking energy: -187.739
Base-Backbone interact. energy: -0.052
local terms energy: -184.956213
where:
bonds (distance) C4'-P energy: -31.851
bonds (distance) P-C4' energy: -32.754
flat angles C4'-P-C4' energy: -37.848
flat angles P-C4'-P energy: -25.589
tors. eta vs tors. theta energy: -56.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -549.779050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.779050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.779050 (E_RNA)
where:
Base-Base interactions energy: -383.400
where: short stacking energy: -174.990
Base-Backbone interact. energy: 0.055
local terms energy: -166.433286
where:
bonds (distance) C4'-P energy: -26.395
bonds (distance) P-C4' energy: -35.359
flat angles C4'-P-C4' energy: -34.867
flat angles P-C4'-P energy: -23.493
tors. eta vs tors. theta energy: -46.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -480.989991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.989991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.989991 (E_RNA)
where:
Base-Base interactions energy: -318.587
where: short stacking energy: -163.225
Base-Backbone interact. energy: -0.658
local terms energy: -161.745071
where:
bonds (distance) C4'-P energy: -36.439
bonds (distance) P-C4' energy: -29.422
flat angles C4'-P-C4' energy: -34.656
flat angles P-C4'-P energy: -25.016
tors. eta vs tors. theta energy: -36.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -454.557941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.557941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.557941 (E_RNA)
where:
Base-Base interactions energy: -302.084
where: short stacking energy: -157.588
Base-Backbone interact. energy: -0.354
local terms energy: -152.119349
where:
bonds (distance) C4'-P energy: -34.639
bonds (distance) P-C4' energy: -27.514
flat angles C4'-P-C4' energy: -32.715
flat angles P-C4'-P energy: -17.705
tors. eta vs tors. theta energy: -39.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -356.857275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.857275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.857275 (E_RNA)
where:
Base-Base interactions energy: -204.440
where: short stacking energy: -108.993
Base-Backbone interact. energy: 0.121
local terms energy: -152.537918
where:
bonds (distance) C4'-P energy: -32.810
bonds (distance) P-C4' energy: -36.287
flat angles C4'-P-C4' energy: -39.071
flat angles P-C4'-P energy: -22.096
tors. eta vs tors. theta energy: -22.274
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: 10
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -358.318270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.318270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.318270 (E_RNA)
where:
Base-Base interactions energy: -230.402
where: short stacking energy: -104.117
Base-Backbone interact. energy: -0.680
local terms energy: -127.235397
where:
bonds (distance) C4'-P energy: -32.731
bonds (distance) P-C4' energy: -33.382
flat angles C4'-P-C4' energy: -25.419
flat angles P-C4'-P energy: -14.017
tors. eta vs tors. theta energy: -21.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -353.910067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.910067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.910067 (E_RNA)
where:
Base-Base interactions energy: -221.405
where: short stacking energy: -110.198
Base-Backbone interact. energy: -1.428
local terms energy: -131.077144
where:
bonds (distance) C4'-P energy: -30.973
bonds (distance) P-C4' energy: -22.135
flat angles C4'-P-C4' energy: -34.598
flat angles P-C4'-P energy: -19.722
tors. eta vs tors. theta energy: -23.650
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: 3
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -252.259400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.259400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.259400 (E_RNA)
where:
Base-Base interactions energy: -139.163
where: short stacking energy: -91.600
Base-Backbone interact. energy: 1.297
local terms energy: -114.393730
where:
bonds (distance) C4'-P energy: -19.035
bonds (distance) P-C4' energy: -31.647
flat angles C4'-P-C4' energy: -29.439
flat angles P-C4'-P energy: -20.281
tors. eta vs tors. theta energy: -13.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -315.541971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.541971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.541971 (E_RNA)
where:
Base-Base interactions energy: -189.656
where: short stacking energy: -97.005
Base-Backbone interact. energy: -0.298
local terms energy: -125.588423
where:
bonds (distance) C4'-P energy: -31.641
bonds (distance) P-C4' energy: -27.948
flat angles C4'-P-C4' energy: -28.653
flat angles P-C4'-P energy: -18.193
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: 10, replica: 7
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -250.848936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.848936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.848936 (E_RNA)
where:
Base-Base interactions energy: -131.351
where: short stacking energy: -92.185
Base-Backbone interact. energy: 2.617
local terms energy: -122.115918
where:
bonds (distance) C4'-P energy: -29.560
bonds (distance) P-C4' energy: -33.958
flat angles C4'-P-C4' energy: -31.026
flat angles P-C4'-P energy: -17.988
tors. eta vs tors. theta energy: -9.584
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: 1, replica: 5
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -545.843126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.843126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.843126 (E_RNA)
where:
Base-Base interactions energy: -363.466
where: short stacking energy: -183.542
Base-Backbone interact. energy: -0.205
local terms energy: -182.171893
where:
bonds (distance) C4'-P energy: -26.518
bonds (distance) P-C4' energy: -33.563
flat angles C4'-P-C4' energy: -38.104
flat angles P-C4'-P energy: -27.521
tors. eta vs tors. theta energy: -56.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -521.524654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.524654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.524654 (E_RNA)
where:
Base-Base interactions energy: -347.179
where: short stacking energy: -149.989
Base-Backbone interact. energy: -0.186
local terms energy: -174.159083
where:
bonds (distance) C4'-P energy: -32.148
bonds (distance) P-C4' energy: -36.303
flat angles C4'-P-C4' energy: -41.068
flat angles P-C4'-P energy: -25.268
tors. eta vs tors. theta energy: -39.372
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: 6
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -500.006200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.006200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.006200 (E_RNA)
where:
Base-Base interactions energy: -323.344
where: short stacking energy: -160.646
Base-Backbone interact. energy: 1.121
local terms energy: -177.782586
where:
bonds (distance) C4'-P energy: -30.240
bonds (distance) P-C4' energy: -34.498
flat angles C4'-P-C4' energy: -39.231
flat angles P-C4'-P energy: -29.259
tors. eta vs tors. theta energy: -44.554
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: 9
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -447.618448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.618448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.618448 (E_RNA)
where:
Base-Base interactions energy: -280.721
where: short stacking energy: -142.088
Base-Backbone interact. energy: -0.253
local terms energy: -166.644821
where:
bonds (distance) C4'-P energy: -29.985
bonds (distance) P-C4' energy: -36.714
flat angles C4'-P-C4' energy: -37.867
flat angles P-C4'-P energy: -18.438
tors. eta vs tors. theta energy: -43.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -364.059253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.059253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.059253 (E_RNA)
where:
Base-Base interactions energy: -211.692
where: short stacking energy: -108.114
Base-Backbone interact. energy: 1.871
local terms energy: -154.238039
where:
bonds (distance) C4'-P energy: -31.166
bonds (distance) P-C4' energy: -34.314
flat angles C4'-P-C4' energy: -38.405
flat angles P-C4'-P energy: -28.421
tors. eta vs tors. theta energy: -21.932
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: 8
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -347.324938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.324938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.324938 (E_RNA)
where:
Base-Base interactions energy: -211.286
where: short stacking energy: -100.929
Base-Backbone interact. energy: -0.122
local terms energy: -135.916813
where:
bonds (distance) C4'-P energy: -31.485
bonds (distance) P-C4' energy: -35.457
flat angles C4'-P-C4' energy: -28.453
flat angles P-C4'-P energy: -15.572
tors. eta vs tors. theta energy: -24.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -355.509029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.509029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.509029 (E_RNA)
where:
Base-Base interactions energy: -225.407
where: short stacking energy: -117.954
Base-Backbone interact. energy: -0.521
local terms energy: -129.581040
where:
bonds (distance) C4'-P energy: -21.398
bonds (distance) P-C4' energy: -34.975
flat angles C4'-P-C4' energy: -37.179
flat angles P-C4'-P energy: -15.542
tors. eta vs tors. theta energy: -20.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -248.123239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.123239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.123239 (E_RNA)
where:
Base-Base interactions energy: -138.381
where: short stacking energy: -86.391
Base-Backbone interact. energy: -0.433
local terms energy: -109.310058
where:
bonds (distance) C4'-P energy: -25.357
bonds (distance) P-C4' energy: -27.275
flat angles C4'-P-C4' energy: -33.370
flat angles P-C4'-P energy: -10.359
tors. eta vs tors. theta energy: -12.949
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: 2
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -320.898709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.898709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.898709 (E_RNA)
where:
Base-Base interactions energy: -187.936
where: short stacking energy: -89.723
Base-Backbone interact. energy: 1.151
local terms energy: -134.113746
where:
bonds (distance) C4'-P energy: -31.214
bonds (distance) P-C4' energy: -37.227
flat angles C4'-P-C4' energy: -35.915
flat angles P-C4'-P energy: -17.040
tors. eta vs tors. theta energy: -12.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -234.856635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.856635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.856635 (E_RNA)
where:
Base-Base interactions energy: -140.530
where: short stacking energy: -68.822
Base-Backbone interact. energy: -0.134
local terms energy: -94.192707
where:
bonds (distance) C4'-P energy: -30.871
bonds (distance) P-C4' energy: -26.310
flat angles C4'-P-C4' energy: -27.499
flat angles P-C4'-P energy: -11.214
tors. eta vs tors. theta energy: 1.701
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: 5
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -556.225664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.225664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.225664 (E_RNA)
where:
Base-Base interactions energy: -361.136
where: short stacking energy: -186.007
Base-Backbone interact. energy: -1.005
local terms energy: -194.084602
where:
bonds (distance) C4'-P energy: -33.621
bonds (distance) P-C4' energy: -40.080
flat angles C4'-P-C4' energy: -36.023
flat angles P-C4'-P energy: -26.548
tors. eta vs tors. theta energy: -57.812
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: 4
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -505.761346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.761346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.761346 (E_RNA)
where:
Base-Base interactions energy: -348.911
where: short stacking energy: -142.100
Base-Backbone interact. energy: -0.913
local terms energy: -155.937312
where:
bonds (distance) C4'-P energy: -31.045
bonds (distance) P-C4' energy: -33.622
flat angles C4'-P-C4' energy: -32.280
flat angles P-C4'-P energy: -23.709
tors. eta vs tors. theta energy: -35.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -478.403500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.403500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.403500 (E_RNA)
where:
Base-Base interactions energy: -313.542
where: short stacking energy: -147.980
Base-Backbone interact. energy: 0.141
local terms energy: -165.002493
where:
bonds (distance) C4'-P energy: -30.432
bonds (distance) P-C4' energy: -35.489
flat angles C4'-P-C4' energy: -34.946
flat angles P-C4'-P energy: -26.283
tors. eta vs tors. theta energy: -37.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -446.215968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.215968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.215968 (E_RNA)
where:
Base-Base interactions energy: -288.708
where: short stacking energy: -131.522
Base-Backbone interact. energy: -0.220
local terms energy: -157.288502
where:
bonds (distance) C4'-P energy: -35.699
bonds (distance) P-C4' energy: -30.530
flat angles C4'-P-C4' energy: -30.366
flat angles P-C4'-P energy: -25.130
tors. eta vs tors. theta energy: -35.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -369.345527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.345527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.345527 (E_RNA)
where:
Base-Base interactions energy: -240.084
where: short stacking energy: -108.025
Base-Backbone interact. energy: 0.678
local terms energy: -129.939087
where:
bonds (distance) C4'-P energy: -35.681
bonds (distance) P-C4' energy: -33.145
flat angles C4'-P-C4' energy: -29.089
flat angles P-C4'-P energy: -15.464
tors. eta vs tors. theta energy: -16.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -345.573182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.573182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.573182 (E_RNA)
where:
Base-Base interactions energy: -219.263
where: short stacking energy: -105.666
Base-Backbone interact. energy: 1.241
local terms energy: -127.551210
where:
bonds (distance) C4'-P energy: -27.628
bonds (distance) P-C4' energy: -29.700
flat angles C4'-P-C4' energy: -28.425
flat angles P-C4'-P energy: -12.118
tors. eta vs tors. theta energy: -29.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -339.064486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.064486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.064486 (E_RNA)
where:
Base-Base interactions energy: -213.635
where: short stacking energy: -99.780
Base-Backbone interact. energy: -0.569
local terms energy: -124.860891
where:
bonds (distance) C4'-P energy: -23.251
bonds (distance) P-C4' energy: -32.122
flat angles C4'-P-C4' energy: -29.565
flat angles P-C4'-P energy: -18.830
tors. eta vs tors. theta energy: -21.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -294.338861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.338861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.338861 (E_RNA)
where:
Base-Base interactions energy: -171.460
where: short stacking energy: -81.906
Base-Backbone interact. energy: -0.474
local terms energy: -122.404865
where:
bonds (distance) C4'-P energy: -32.695
bonds (distance) P-C4' energy: -27.583
flat angles C4'-P-C4' energy: -23.720
flat angles P-C4'-P energy: -23.684
tors. eta vs tors. theta energy: -14.722
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: 3
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -236.443238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.443238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.443238 (E_RNA)
where:
Base-Base interactions energy: -125.611
where: short stacking energy: -83.640
Base-Backbone interact. energy: -0.631
local terms energy: -110.201362
where:
bonds (distance) C4'-P energy: -19.212
bonds (distance) P-C4' energy: -28.741
flat angles C4'-P-C4' energy: -28.564
flat angles P-C4'-P energy: -19.658
tors. eta vs tors. theta energy: -14.026
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: 7
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -222.395778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.395778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.395778 (E_RNA)
where:
Base-Base interactions energy: -122.836
where: short stacking energy: -79.094
Base-Backbone interact. energy: -0.510
local terms energy: -99.049982
where:
bonds (distance) C4'-P energy: -22.527
bonds (distance) P-C4' energy: -34.339
flat angles C4'-P-C4' energy: -26.277
flat angles P-C4'-P energy: -10.320
tors. eta vs tors. theta energy: -5.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -561.203794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.203794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.203794 (E_RNA)
where:
Base-Base interactions energy: -369.261
where: short stacking energy: -191.784
Base-Backbone interact. energy: -0.912
local terms energy: -191.031264
where:
bonds (distance) C4'-P energy: -32.680
bonds (distance) P-C4' energy: -37.790
flat angles C4'-P-C4' energy: -38.327
flat angles P-C4'-P energy: -26.575
tors. eta vs tors. theta energy: -55.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -507.213199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.213199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.213199 (E_RNA)
where:
Base-Base interactions energy: -339.367
where: short stacking energy: -157.409
Base-Backbone interact. energy: -0.626
local terms energy: -167.220709
where:
bonds (distance) C4'-P energy: -31.739
bonds (distance) P-C4' energy: -40.044
flat angles C4'-P-C4' energy: -31.412
flat angles P-C4'-P energy: -27.358
tors. eta vs tors. theta energy: -36.668
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: 3, replica: 9
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -450.787266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.787266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.787266 (E_RNA)
where:
Base-Base interactions energy: -281.349
where: short stacking energy: -137.395
Base-Backbone interact. energy: -0.224
local terms energy: -169.214629
where:
bonds (distance) C4'-P energy: -36.932
bonds (distance) P-C4' energy: -36.044
flat angles C4'-P-C4' energy: -35.702
flat angles P-C4'-P energy: -26.727
tors. eta vs tors. theta energy: -33.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -458.303708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.303708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.303708 (E_RNA)
where:
Base-Base interactions energy: -298.883
where: short stacking energy: -127.111
Base-Backbone interact. energy: -0.968
local terms energy: -158.453245
where:
bonds (distance) C4'-P energy: -31.511
bonds (distance) P-C4' energy: -30.460
flat angles C4'-P-C4' energy: -37.291
flat angles P-C4'-P energy: -27.294
tors. eta vs tors. theta energy: -31.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -366.714479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.714479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.714479 (E_RNA)
where:
Base-Base interactions energy: -224.871
where: short stacking energy: -114.180
Base-Backbone interact. energy: 0.352
local terms energy: -142.195036
where:
bonds (distance) C4'-P energy: -35.976
bonds (distance) P-C4' energy: -34.477
flat angles C4'-P-C4' energy: -28.979
flat angles P-C4'-P energy: -19.264
tors. eta vs tors. theta energy: -23.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -356.873361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.873361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.873361 (E_RNA)
where:
Base-Base interactions energy: -239.256
where: short stacking energy: -101.634
Base-Backbone interact. energy: -0.651
local terms energy: -116.966085
where:
bonds (distance) C4'-P energy: -34.091
bonds (distance) P-C4' energy: -23.931
flat angles C4'-P-C4' energy: -26.286
flat angles P-C4'-P energy: -11.128
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: 7, replica: 8
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -327.218880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.218880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.218880 (E_RNA)
where:
Base-Base interactions energy: -196.632
where: short stacking energy: -106.133
Base-Backbone interact. energy: -0.057
local terms energy: -130.529891
where:
bonds (distance) C4'-P energy: -25.869
bonds (distance) P-C4' energy: -37.933
flat angles C4'-P-C4' energy: -30.378
flat angles P-C4'-P energy: -18.825
tors. eta vs tors. theta energy: -17.525
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: 2
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -333.344188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.344188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.344188 (E_RNA)
where:
Base-Base interactions energy: -195.556
where: short stacking energy: -103.147
Base-Backbone interact. energy: -0.237
local terms energy: -137.551448
where:
bonds (distance) C4'-P energy: -36.082
bonds (distance) P-C4' energy: -29.057
flat angles C4'-P-C4' energy: -28.515
flat angles P-C4'-P energy: -21.134
tors. eta vs tors. theta energy: -22.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -234.587811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.587811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.587811 (E_RNA)
where:
Base-Base interactions energy: -116.710
where: short stacking energy: -66.705
Base-Backbone interact. energy: 0.938
local terms energy: -118.816446
where:
bonds (distance) C4'-P energy: -29.092
bonds (distance) P-C4' energy: -29.456
flat angles C4'-P-C4' energy: -29.606
flat angles P-C4'-P energy: -20.428
tors. eta vs tors. theta energy: -10.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -224.851292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.851292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.851292 (E_RNA)
where:
Base-Base interactions energy: -117.494
where: short stacking energy: -64.267
Base-Backbone interact. energy: 3.374
local terms energy: -110.731314
where:
bonds (distance) C4'-P energy: -34.088
bonds (distance) P-C4' energy: -28.230
flat angles C4'-P-C4' energy: -25.999
flat angles P-C4'-P energy: -12.085
tors. eta vs tors. theta energy: -10.329
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: 5
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -554.682500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.682500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.682500 (E_RNA)
where:
Base-Base interactions energy: -360.367
where: short stacking energy: -191.335
Base-Backbone interact. energy: -0.290
local terms energy: -194.025348
where:
bonds (distance) C4'-P energy: -32.113
bonds (distance) P-C4' energy: -39.368
flat angles C4'-P-C4' energy: -34.145
flat angles P-C4'-P energy: -30.632
tors. eta vs tors. theta energy: -57.767
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: 4
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -478.134530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.134530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.134530 (E_RNA)
where:
Base-Base interactions energy: -318.420
where: short stacking energy: -149.157
Base-Backbone interact. energy: -0.464
local terms energy: -159.250195
where:
bonds (distance) C4'-P energy: -26.649
bonds (distance) P-C4' energy: -34.013
flat angles C4'-P-C4' energy: -34.918
flat angles P-C4'-P energy: -23.316
tors. eta vs tors. theta energy: -40.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -459.483348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.483348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.483348 (E_RNA)
where:
Base-Base interactions energy: -298.319
where: short stacking energy: -146.379
Base-Backbone interact. energy: -0.046
local terms energy: -161.118135
where:
bonds (distance) C4'-P energy: -32.804
bonds (distance) P-C4' energy: -29.604
flat angles C4'-P-C4' energy: -39.513
flat angles P-C4'-P energy: -22.831
tors. eta vs tors. theta energy: -36.366
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: 6
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -468.681805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.681805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.681805 (E_RNA)
where:
Base-Base interactions energy: -297.004
where: short stacking energy: -132.687
Base-Backbone interact. energy: -0.464
local terms energy: -171.213871
where:
bonds (distance) C4'-P energy: -34.589
bonds (distance) P-C4' energy: -40.031
flat angles C4'-P-C4' energy: -31.785
flat angles P-C4'-P energy: -24.268
tors. eta vs tors. theta energy: -40.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -371.606368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.606368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.606368 (E_RNA)
where:
Base-Base interactions energy: -228.416
where: short stacking energy: -131.783
Base-Backbone interact. energy: -0.170
local terms energy: -143.019553
where:
bonds (distance) C4'-P energy: -19.692
bonds (distance) P-C4' energy: -30.200
flat angles C4'-P-C4' energy: -32.643
flat angles P-C4'-P energy: -24.382
tors. eta vs tors. theta energy: -36.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -359.214627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.214627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.214627 (E_RNA)
where:
Base-Base interactions energy: -222.181
where: short stacking energy: -124.820
Base-Backbone interact. energy: -0.405
local terms energy: -136.629030
where:
bonds (distance) C4'-P energy: -27.564
bonds (distance) P-C4' energy: -36.830
flat angles C4'-P-C4' energy: -31.707
flat angles P-C4'-P energy: -18.586
tors. eta vs tors. theta energy: -21.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -336.491869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.491869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.491869 (E_RNA)
where:
Base-Base interactions energy: -188.704
where: short stacking energy: -86.799
Base-Backbone interact. energy: -2.541
local terms energy: -145.245902
where:
bonds (distance) C4'-P energy: -36.736
bonds (distance) P-C4' energy: -38.254
flat angles C4'-P-C4' energy: -29.484
flat angles P-C4'-P energy: -23.636
tors. eta vs tors. theta energy: -17.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -316.045821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.045821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.045821 (E_RNA)
where:
Base-Base interactions energy: -183.231
where: short stacking energy: -95.606
Base-Backbone interact. energy: -0.351
local terms energy: -132.463394
where:
bonds (distance) C4'-P energy: -34.762
bonds (distance) P-C4' energy: -33.081
flat angles C4'-P-C4' energy: -32.914
flat angles P-C4'-P energy: -19.386
tors. eta vs tors. theta energy: -12.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -243.508794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.508794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.508794 (E_RNA)
where:
Base-Base interactions energy: -118.886
where: short stacking energy: -72.532
Base-Backbone interact. energy: -1.046
local terms energy: -123.576640
where:
bonds (distance) C4'-P energy: -25.206
bonds (distance) P-C4' energy: -36.211
flat angles C4'-P-C4' energy: -35.311
flat angles P-C4'-P energy: -17.742
tors. eta vs tors. theta energy: -9.106
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: 411
Temperature: 1.350000
Total energy: -217.248162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.248162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.248162 (E_RNA)
where:
Base-Base interactions energy: -103.505
where: short stacking energy: -60.316
Base-Backbone interact. energy: -1.331
local terms energy: -112.412635
where:
bonds (distance) C4'-P energy: -34.387
bonds (distance) P-C4' energy: -36.405
flat angles C4'-P-C4' energy: -30.089
flat angles P-C4'-P energy: -3.474
tors. eta vs tors. theta energy: -8.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -551.949387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.949387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.949387 (E_RNA)
where:
Base-Base interactions energy: -366.360
where: short stacking energy: -184.905
Base-Backbone interact. energy: -0.184
local terms energy: -185.405691
where:
bonds (distance) C4'-P energy: -33.388
bonds (distance) P-C4' energy: -36.912
flat angles C4'-P-C4' energy: -32.663
flat angles P-C4'-P energy: -24.079
tors. eta vs tors. theta energy: -58.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -502.442599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.442599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.442599 (E_RNA)
where:
Base-Base interactions energy: -310.642
where: short stacking energy: -142.008
Base-Backbone interact. energy: -0.779
local terms energy: -191.021962
where:
bonds (distance) C4'-P energy: -39.462
bonds (distance) P-C4' energy: -43.485
flat angles C4'-P-C4' energy: -40.339
flat angles P-C4'-P energy: -27.700
tors. eta vs tors. theta energy: -40.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -487.921262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.921262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.921262 (E_RNA)
where:
Base-Base interactions energy: -318.774
where: short stacking energy: -160.059
Base-Backbone interact. energy: -0.263
local terms energy: -168.883620
where:
bonds (distance) C4'-P energy: -35.032
bonds (distance) P-C4' energy: -30.721
flat angles C4'-P-C4' energy: -41.803
flat angles P-C4'-P energy: -19.288
tors. eta vs tors. theta energy: -42.040
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: 9
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -441.855792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.855792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.855792 (E_RNA)
where:
Base-Base interactions energy: -284.046
where: short stacking energy: -136.420
Base-Backbone interact. energy: -0.052
local terms energy: -157.758170
where:
bonds (distance) C4'-P energy: -32.770
bonds (distance) P-C4' energy: -32.499
flat angles C4'-P-C4' energy: -34.740
flat angles P-C4'-P energy: -26.346
tors. eta vs tors. theta energy: -31.403
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: 412
Temperature: 1.100000
Total energy: -395.584924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.584924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.584924 (E_RNA)
where:
Base-Base interactions energy: -230.057
where: short stacking energy: -126.886
Base-Backbone interact. energy: 1.180
local terms energy: -166.707636
where:
bonds (distance) C4'-P energy: -35.634
bonds (distance) P-C4' energy: -35.254
flat angles C4'-P-C4' energy: -36.689
flat angles P-C4'-P energy: -27.060
tors. eta vs tors. theta energy: -32.071
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: 1
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -346.309907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.309907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.309907 (E_RNA)
where:
Base-Base interactions energy: -215.821
where: short stacking energy: -123.634
Base-Backbone interact. energy: -0.729
local terms energy: -129.759460
where:
bonds (distance) C4'-P energy: -27.457
bonds (distance) P-C4' energy: -34.831
flat angles C4'-P-C4' energy: -29.141
flat angles P-C4'-P energy: -12.518
tors. eta vs tors. theta energy: -25.814
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: 412
Temperature: 1.200000
Total energy: -345.832157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.832157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.832157 (E_RNA)
where:
Base-Base interactions energy: -202.025
where: short stacking energy: -104.659
Base-Backbone interact. energy: 0.222
local terms energy: -144.028979
where:
bonds (distance) C4'-P energy: -34.576
bonds (distance) P-C4' energy: -34.086
flat angles C4'-P-C4' energy: -37.701
flat angles P-C4'-P energy: -13.919
tors. eta vs tors. theta energy: -23.746
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: 8, replica: 2
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -323.410594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.410594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.410594 (E_RNA)
where:
Base-Base interactions energy: -202.914
where: short stacking energy: -106.835
Base-Backbone interact. energy: -0.546
local terms energy: -119.951130
where:
bonds (distance) C4'-P energy: -19.459
bonds (distance) P-C4' energy: -30.784
flat angles C4'-P-C4' energy: -34.409
flat angles P-C4'-P energy: -21.703
tors. eta vs tors. theta energy: -13.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -236.826553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.826553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.826553 (E_RNA)
where:
Base-Base interactions energy: -124.002
where: short stacking energy: -69.240
Base-Backbone interact. energy: -1.083
local terms energy: -111.741580
where:
bonds (distance) C4'-P energy: -25.608
bonds (distance) P-C4' energy: -33.856
flat angles C4'-P-C4' energy: -30.219
flat angles P-C4'-P energy: -16.465
tors. eta vs tors. theta energy: -5.594
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: 7
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -221.905681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.905681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.905681 (E_RNA)
where:
Base-Base interactions energy: -112.095
where: short stacking energy: -56.903
Base-Backbone interact. energy: 0.126
local terms energy: -109.936690
where:
bonds (distance) C4'-P energy: -31.334
bonds (distance) P-C4' energy: -29.013
flat angles C4'-P-C4' energy: -33.511
flat angles P-C4'-P energy: -14.798
tors. eta vs tors. theta energy: -1.282
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: 5
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -568.271822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.271822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.271822 (E_RNA)
where:
Base-Base interactions energy: -376.393
where: short stacking energy: -187.374
Base-Backbone interact. energy: -1.033
local terms energy: -190.845954
where:
bonds (distance) C4'-P energy: -29.902
bonds (distance) P-C4' energy: -32.968
flat angles C4'-P-C4' energy: -42.795
flat angles P-C4'-P energy: -27.496
tors. eta vs tors. theta energy: -57.685
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: 6
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -484.117528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.117528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.117528 (E_RNA)
where:
Base-Base interactions energy: -319.418
where: short stacking energy: -150.355
Base-Backbone interact. energy: -0.748
local terms energy: -163.951630
where:
bonds (distance) C4'-P energy: -33.281
bonds (distance) P-C4' energy: -32.056
flat angles C4'-P-C4' energy: -39.438
flat angles P-C4'-P energy: -26.853
tors. eta vs tors. theta energy: -32.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -491.684325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.684325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.684325 (E_RNA)
where:
Base-Base interactions energy: -326.855
where: short stacking energy: -147.567
Base-Backbone interact. energy: -0.457
local terms energy: -164.372545
where:
bonds (distance) C4'-P energy: -34.743
bonds (distance) P-C4' energy: -30.168
flat angles C4'-P-C4' energy: -35.784
flat angles P-C4'-P energy: -27.133
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: 4, replica: 9
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -443.131034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.131034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.131034 (E_RNA)
where:
Base-Base interactions energy: -279.778
where: short stacking energy: -143.682
Base-Backbone interact. energy: -1.086
local terms energy: -162.267809
where:
bonds (distance) C4'-P energy: -27.609
bonds (distance) P-C4' energy: -31.508
flat angles C4'-P-C4' energy: -33.546
flat angles P-C4'-P energy: -24.559
tors. eta vs tors. theta energy: -45.046
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: 8
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -372.517788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.517788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.517788 (E_RNA)
where:
Base-Base interactions energy: -234.778
where: short stacking energy: -112.302
Base-Backbone interact. energy: -1.209
local terms energy: -136.530692
where:
bonds (distance) C4'-P energy: -31.646
bonds (distance) P-C4' energy: -28.735
flat angles C4'-P-C4' energy: -32.899
flat angles P-C4'-P energy: -24.831
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: 6, replica: 10
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -356.478708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.478708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.478708 (E_RNA)
where:
Base-Base interactions energy: -225.631
where: short stacking energy: -107.024
Base-Backbone interact. energy: 0.150
local terms energy: -130.996921
where:
bonds (distance) C4'-P energy: -31.926
bonds (distance) P-C4' energy: -32.589
flat angles C4'-P-C4' energy: -28.938
flat angles P-C4'-P energy: -16.305
tors. eta vs tors. theta energy: -21.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -351.568687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.568687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.568687 (E_RNA)
where:
Base-Base interactions energy: -227.904
where: short stacking energy: -109.879
Base-Backbone interact. energy: -0.550
local terms energy: -123.114486
where:
bonds (distance) C4'-P energy: -33.855
bonds (distance) P-C4' energy: -28.070
flat angles C4'-P-C4' energy: -26.522
flat angles P-C4'-P energy: -13.792
tors. eta vs tors. theta energy: -20.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -350.426216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.426216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.426216 (E_RNA)
where:
Base-Base interactions energy: -222.700
where: short stacking energy: -116.879
Base-Backbone interact. energy: 0.896
local terms energy: -128.622170
where:
bonds (distance) C4'-P energy: -25.954
bonds (distance) P-C4' energy: -27.376
flat angles C4'-P-C4' energy: -29.285
flat angles P-C4'-P energy: -24.309
tors. eta vs tors. theta energy: -21.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -228.426548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.426548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.426548 (E_RNA)
where:
Base-Base interactions energy: -117.275
where: short stacking energy: -76.651
Base-Backbone interact. energy: -0.394
local terms energy: -110.757876
where:
bonds (distance) C4'-P energy: -20.918
bonds (distance) P-C4' energy: -31.268
flat angles C4'-P-C4' energy: -29.481
flat angles P-C4'-P energy: -17.808
tors. eta vs tors. theta energy: -11.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -222.154323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.154323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.154323 (E_RNA)
where:
Base-Base interactions energy: -118.354
where: short stacking energy: -57.365
Base-Backbone interact. energy: 0.908
local terms energy: -104.708457
where:
bonds (distance) C4'-P energy: -25.029
bonds (distance) P-C4' energy: -31.254
flat angles C4'-P-C4' energy: -27.907
flat angles P-C4'-P energy: -13.737
tors. eta vs tors. theta energy: -6.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -577.389387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.389387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.389387 (E_RNA)
where:
Base-Base interactions energy: -377.152
where: short stacking energy: -189.594
Base-Backbone interact. energy: -0.140
local terms energy: -200.097518
where:
bonds (distance) C4'-P energy: -33.202
bonds (distance) P-C4' energy: -37.354
flat angles C4'-P-C4' energy: -42.500
flat angles P-C4'-P energy: -29.399
tors. eta vs tors. theta energy: -57.643
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: 6
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -479.078115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.078115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.078115 (E_RNA)
where:
Base-Base interactions energy: -310.093
where: short stacking energy: -148.176
Base-Backbone interact. energy: 0.467
local terms energy: -169.451936
where:
bonds (distance) C4'-P energy: -26.850
bonds (distance) P-C4' energy: -42.160
flat angles C4'-P-C4' energy: -40.221
flat angles P-C4'-P energy: -23.138
tors. eta vs tors. theta energy: -37.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -476.951110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.951110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.951110 (E_RNA)
where:
Base-Base interactions energy: -321.228
where: short stacking energy: -152.593
Base-Backbone interact. energy: -0.606
local terms energy: -155.117488
where:
bonds (distance) C4'-P energy: -30.895
bonds (distance) P-C4' energy: -32.835
flat angles C4'-P-C4' energy: -36.324
flat angles P-C4'-P energy: -23.960
tors. eta vs tors. theta energy: -31.104
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: 9
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -452.240908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.240908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.240908 (E_RNA)
where:
Base-Base interactions energy: -301.896
where: short stacking energy: -149.607
Base-Backbone interact. energy: -0.450
local terms energy: -149.895704
where:
bonds (distance) C4'-P energy: -28.243
bonds (distance) P-C4' energy: -32.947
flat angles C4'-P-C4' energy: -35.936
flat angles P-C4'-P energy: -19.753
tors. eta vs tors. theta energy: -33.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -401.955928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.955928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.955928 (E_RNA)
where:
Base-Base interactions energy: -245.749
where: short stacking energy: -106.450
Base-Backbone interact. energy: -0.006
local terms energy: -156.200176
where:
bonds (distance) C4'-P energy: -33.383
bonds (distance) P-C4' energy: -37.089
flat angles C4'-P-C4' energy: -32.932
flat angles P-C4'-P energy: -28.294
tors. eta vs tors. theta energy: -24.502
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: 8
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -371.614845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.614845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.614845 (E_RNA)
where:
Base-Base interactions energy: -231.906
where: short stacking energy: -115.230
Base-Backbone interact. energy: -0.116
local terms energy: -139.592187
where:
bonds (distance) C4'-P energy: -25.659
bonds (distance) P-C4' energy: -30.146
flat angles C4'-P-C4' energy: -35.681
flat angles P-C4'-P energy: -21.830
tors. eta vs tors. theta energy: -26.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -363.775607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.775607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.775607 (E_RNA)
where:
Base-Base interactions energy: -216.122
where: short stacking energy: -116.348
Base-Backbone interact. energy: 0.151
local terms energy: -147.804515
where:
bonds (distance) C4'-P energy: -36.216
bonds (distance) P-C4' energy: -31.065
flat angles C4'-P-C4' energy: -30.660
flat angles P-C4'-P energy: -20.204
tors. eta vs tors. theta energy: -29.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -315.510573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.510573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.510573 (E_RNA)
where:
Base-Base interactions energy: -191.472
where: short stacking energy: -86.562
Base-Backbone interact. energy: -0.430
local terms energy: -123.609338
where:
bonds (distance) C4'-P energy: -30.950
bonds (distance) P-C4' energy: -24.990
flat angles C4'-P-C4' energy: -36.403
flat angles P-C4'-P energy: -21.216
tors. eta vs tors. theta energy: -10.050
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: 3
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -233.464814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.464814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.464814 (E_RNA)
where:
Base-Base interactions energy: -118.249
where: short stacking energy: -73.150
Base-Backbone interact. energy: 0.914
local terms energy: -116.129886
where:
bonds (distance) C4'-P energy: -30.075
bonds (distance) P-C4' energy: -31.893
flat angles C4'-P-C4' energy: -29.210
flat angles P-C4'-P energy: -17.406
tors. eta vs tors. theta energy: -7.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -227.624123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.624123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.624123 (E_RNA)
where:
Base-Base interactions energy: -122.706
where: short stacking energy: -50.036
Base-Backbone interact. energy: -0.680
local terms energy: -104.238697
where:
bonds (distance) C4'-P energy: -25.144
bonds (distance) P-C4' energy: -32.446
flat angles C4'-P-C4' energy: -24.948
flat angles P-C4'-P energy: -15.197
tors. eta vs tors. theta energy: -6.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -555.029509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.029509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.029509 (E_RNA)
where:
Base-Base interactions energy: -361.776
where: short stacking energy: -185.074
Base-Backbone interact. energy: -0.010
local terms energy: -193.243912
where:
bonds (distance) C4'-P energy: -36.469
bonds (distance) P-C4' energy: -38.056
flat angles C4'-P-C4' energy: -35.882
flat angles P-C4'-P energy: -28.560
tors. eta vs tors. theta energy: -54.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -474.837074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.837074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.837074 (E_RNA)
where:
Base-Base interactions energy: -308.496
where: short stacking energy: -129.953
Base-Backbone interact. energy: -0.602
local terms energy: -165.739651
where:
bonds (distance) C4'-P energy: -35.026
bonds (distance) P-C4' energy: -37.522
flat angles C4'-P-C4' energy: -35.657
flat angles P-C4'-P energy: -26.183
tors. eta vs tors. theta energy: -31.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -499.474267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.474267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.474267 (E_RNA)
where:
Base-Base interactions energy: -331.868
where: short stacking energy: -170.794
Base-Backbone interact. energy: -0.856
local terms energy: -166.750493
where:
bonds (distance) C4'-P energy: -28.762
bonds (distance) P-C4' energy: -28.871
flat angles C4'-P-C4' energy: -40.786
flat angles P-C4'-P energy: -23.771
tors. eta vs tors. theta energy: -44.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -432.228176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.228176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.228176 (E_RNA)
where:
Base-Base interactions energy: -287.964
where: short stacking energy: -144.013
Base-Backbone interact. energy: -0.109
local terms energy: -144.155243
where:
bonds (distance) C4'-P energy: -33.542
bonds (distance) P-C4' energy: -28.046
flat angles C4'-P-C4' energy: -37.695
flat angles P-C4'-P energy: -9.266
tors. eta vs tors. theta energy: -35.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -441.358005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.358005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.358005 (E_RNA)
where:
Base-Base interactions energy: -282.190
where: short stacking energy: -136.199
Base-Backbone interact. energy: -0.161
local terms energy: -159.006637
where:
bonds (distance) C4'-P energy: -31.103
bonds (distance) P-C4' energy: -34.186
flat angles C4'-P-C4' energy: -33.527
flat angles P-C4'-P energy: -26.907
tors. eta vs tors. theta energy: -33.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -366.951826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.951826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.951826 (E_RNA)
where:
Base-Base interactions energy: -229.977
where: short stacking energy: -109.829
Base-Backbone interact. energy: 0.984
local terms energy: -137.958341
where:
bonds (distance) C4'-P energy: -26.396
bonds (distance) P-C4' energy: -32.313
flat angles C4'-P-C4' energy: -34.229
flat angles P-C4'-P energy: -25.154
tors. eta vs tors. theta energy: -19.866
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: 8
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -340.681461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.681461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.681461 (E_RNA)
where:
Base-Base interactions energy: -207.955
where: short stacking energy: -109.734
Base-Backbone interact. energy: 2.599
local terms energy: -135.325257
where:
bonds (distance) C4'-P energy: -24.828
bonds (distance) P-C4' energy: -31.041
flat angles C4'-P-C4' energy: -35.421
flat angles P-C4'-P energy: -23.725
tors. eta vs tors. theta energy: -20.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -343.037637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.037637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.037637 (E_RNA)
where:
Base-Base interactions energy: -215.806
where: short stacking energy: -111.313
Base-Backbone interact. energy: 0.356
local terms energy: -127.586838
where:
bonds (distance) C4'-P energy: -27.094
bonds (distance) P-C4' energy: -33.765
flat angles C4'-P-C4' energy: -24.654
flat angles P-C4'-P energy: -17.912
tors. eta vs tors. theta energy: -24.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -240.298789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.298789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.298789 (E_RNA)
where:
Base-Base interactions energy: -139.067
where: short stacking energy: -72.661
Base-Backbone interact. energy: 1.908
local terms energy: -103.140229
where:
bonds (distance) C4'-P energy: -25.591
bonds (distance) P-C4' energy: -31.671
flat angles C4'-P-C4' energy: -18.159
flat angles P-C4'-P energy: -16.742
tors. eta vs tors. theta energy: -10.978
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: 7
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -216.448065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.448065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.448065 (E_RNA)
where:
Base-Base interactions energy: -120.840
where: short stacking energy: -62.193
Base-Backbone interact. energy: 1.980
local terms energy: -97.587450
where:
bonds (distance) C4'-P energy: -17.599
bonds (distance) P-C4' energy: -22.198
flat angles C4'-P-C4' energy: -37.400
flat angles P-C4'-P energy: -10.399
tors. eta vs tors. theta energy: -9.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -555.555136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.555136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.555136 (E_RNA)
where:
Base-Base interactions energy: -366.166
where: short stacking energy: -181.810
Base-Backbone interact. energy: -0.271
local terms energy: -189.117932
where:
bonds (distance) C4'-P energy: -34.251
bonds (distance) P-C4' energy: -31.522
flat angles C4'-P-C4' energy: -44.742
flat angles P-C4'-P energy: -25.614
tors. eta vs tors. theta energy: -52.990
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: 4
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -484.641979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.641979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.641979 (E_RNA)
where:
Base-Base interactions energy: -321.920
where: short stacking energy: -149.165
Base-Backbone interact. energy: -0.807
local terms energy: -161.915118
where:
bonds (distance) C4'-P energy: -27.898
bonds (distance) P-C4' energy: -35.703
flat angles C4'-P-C4' energy: -31.246
flat angles P-C4'-P energy: -29.770
tors. eta vs tors. theta energy: -37.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -500.287179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.287179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.287179 (E_RNA)
where:
Base-Base interactions energy: -339.383
where: short stacking energy: -159.413
Base-Backbone interact. energy: -0.792
local terms energy: -160.112286
where:
bonds (distance) C4'-P energy: -24.694
bonds (distance) P-C4' energy: -33.159
flat angles C4'-P-C4' energy: -37.652
flat angles P-C4'-P energy: -24.165
tors. eta vs tors. theta energy: -40.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -448.235828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.235828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.235828 (E_RNA)
where:
Base-Base interactions energy: -278.365
where: short stacking energy: -139.203
Base-Backbone interact. energy: -0.443
local terms energy: -169.428126
where:
bonds (distance) C4'-P energy: -33.960
bonds (distance) P-C4' energy: -31.308
flat angles C4'-P-C4' energy: -34.437
flat angles P-C4'-P energy: -25.441
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: 5, replica: 10
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -411.733980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.733980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.733980 (E_RNA)
where:
Base-Base interactions energy: -267.447
where: short stacking energy: -142.554
Base-Backbone interact. energy: -0.128
local terms energy: -144.158940
where:
bonds (distance) C4'-P energy: -28.237
bonds (distance) P-C4' energy: -27.985
flat angles C4'-P-C4' energy: -29.541
flat angles P-C4'-P energy: -22.627
tors. eta vs tors. theta energy: -35.769
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: 1
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -367.856133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.856133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.856133 (E_RNA)
where:
Base-Base interactions energy: -233.370
where: short stacking energy: -106.926
Base-Backbone interact. energy: -0.355
local terms energy: -134.130941
where:
bonds (distance) C4'-P energy: -30.137
bonds (distance) P-C4' energy: -28.674
flat angles C4'-P-C4' energy: -30.018
flat angles P-C4'-P energy: -16.372
tors. eta vs tors. theta energy: -28.929
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: 2
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -341.027250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.027250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.027250 (E_RNA)
where:
Base-Base interactions energy: -198.173
where: short stacking energy: -112.194
Base-Backbone interact. energy: -0.414
local terms energy: -142.440426
where:
bonds (distance) C4'-P energy: -32.205
bonds (distance) P-C4' energy: -31.795
flat angles C4'-P-C4' energy: -32.686
flat angles P-C4'-P energy: -22.552
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: 8
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -320.618234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.618234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.618234 (E_RNA)
where:
Base-Base interactions energy: -205.604
where: short stacking energy: -108.065
Base-Backbone interact. energy: 4.998
local terms energy: -120.011884
where:
bonds (distance) C4'-P energy: -30.279
bonds (distance) P-C4' energy: -24.095
flat angles C4'-P-C4' energy: -24.233
flat angles P-C4'-P energy: -17.649
tors. eta vs tors. theta energy: -23.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -237.524992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.524992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.524992 (E_RNA)
where:
Base-Base interactions energy: -124.821
where: short stacking energy: -77.416
Base-Backbone interact. energy: -0.338
local terms energy: -112.365483
where:
bonds (distance) C4'-P energy: -26.406
bonds (distance) P-C4' energy: -27.861
flat angles C4'-P-C4' energy: -26.340
flat angles P-C4'-P energy: -22.649
tors. eta vs tors. theta energy: -9.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -222.586693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.586693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.586693 (E_RNA)
where:
Base-Base interactions energy: -124.837
where: short stacking energy: -54.653
Base-Backbone interact. energy: -0.681
local terms energy: -97.068176
where:
bonds (distance) C4'-P energy: -28.868
bonds (distance) P-C4' energy: -30.515
flat angles C4'-P-C4' energy: -26.437
flat angles P-C4'-P energy: -9.664
tors. eta vs tors. theta energy: -1.585
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: 5
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -563.893891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.893891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.893891 (E_RNA)
where:
Base-Base interactions energy: -364.369
where: short stacking energy: -180.540
Base-Backbone interact. energy: -0.337
local terms energy: -199.187938
where:
bonds (distance) C4'-P energy: -32.909
bonds (distance) P-C4' energy: -36.732
flat angles C4'-P-C4' energy: -42.429
flat angles P-C4'-P energy: -33.044
tors. eta vs tors. theta energy: -54.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -524.501167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.501167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.501167 (E_RNA)
where:
Base-Base interactions energy: -342.508
where: short stacking energy: -172.749
Base-Backbone interact. energy: -0.778
local terms energy: -181.215423
where:
bonds (distance) C4'-P energy: -36.771
bonds (distance) P-C4' energy: -36.292
flat angles C4'-P-C4' energy: -34.746
flat angles P-C4'-P energy: -29.824
tors. eta vs tors. theta energy: -43.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -484.616082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.616082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.616082 (E_RNA)
where:
Base-Base interactions energy: -331.892
where: short stacking energy: -150.942
Base-Backbone interact. energy: 0.315
local terms energy: -153.038754
where:
bonds (distance) C4'-P energy: -29.171
bonds (distance) P-C4' energy: -31.383
flat angles C4'-P-C4' energy: -33.189
flat angles P-C4'-P energy: -15.814
tors. eta vs tors. theta energy: -43.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -457.284070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.284070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.284070 (E_RNA)
where:
Base-Base interactions energy: -284.543
where: short stacking energy: -144.900
Base-Backbone interact. energy: -0.683
local terms energy: -172.058869
where:
bonds (distance) C4'-P energy: -34.470
bonds (distance) P-C4' energy: -32.291
flat angles C4'-P-C4' energy: -39.736
flat angles P-C4'-P energy: -26.530
tors. eta vs tors. theta energy: -39.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -434.446425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.446425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.446425 (E_RNA)
where:
Base-Base interactions energy: -286.279
where: short stacking energy: -135.080
Base-Backbone interact. energy: -0.253
local terms energy: -147.915012
where:
bonds (distance) C4'-P energy: -38.316
bonds (distance) P-C4' energy: -23.943
flat angles C4'-P-C4' energy: -37.355
flat angles P-C4'-P energy: -16.854
tors. eta vs tors. theta energy: -31.447
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: 2
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -328.273740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.273740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.273740 (E_RNA)
where:
Base-Base interactions energy: -190.669
where: short stacking energy: -85.726
Base-Backbone interact. energy: -0.597
local terms energy: -137.007585
where:
bonds (distance) C4'-P energy: -37.643
bonds (distance) P-C4' energy: -34.144
flat angles C4'-P-C4' energy: -30.303
flat angles P-C4'-P energy: -19.707
tors. eta vs tors. theta energy: -15.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -356.505682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.505682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.505682 (E_RNA)
where:
Base-Base interactions energy: -219.093
where: short stacking energy: -102.942
Base-Backbone interact. energy: 0.179
local terms energy: -137.591980
where:
bonds (distance) C4'-P energy: -34.811
bonds (distance) P-C4' energy: -34.883
flat angles C4'-P-C4' energy: -28.500
flat angles P-C4'-P energy: -17.401
tors. eta vs tors. theta energy: -21.997
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: 8
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -331.858008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.858008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.858008 (E_RNA)
where:
Base-Base interactions energy: -202.324
where: short stacking energy: -114.606
Base-Backbone interact. energy: 1.542
local terms energy: -131.075878
where:
bonds (distance) C4'-P energy: -28.419
bonds (distance) P-C4' energy: -27.852
flat angles C4'-P-C4' energy: -25.433
flat angles P-C4'-P energy: -23.679
tors. eta vs tors. theta energy: -25.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -231.571351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.571351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.571351 (E_RNA)
where:
Base-Base interactions energy: -135.944
where: short stacking energy: -69.495
Base-Backbone interact. energy: -0.123
local terms energy: -95.504947
where:
bonds (distance) C4'-P energy: -23.596
bonds (distance) P-C4' energy: -24.242
flat angles C4'-P-C4' energy: -32.078
flat angles P-C4'-P energy: -8.581
tors. eta vs tors. theta energy: -7.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -235.179712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.179712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.179712 (E_RNA)
where:
Base-Base interactions energy: -131.708
where: short stacking energy: -76.977
Base-Backbone interact. energy: -0.598
local terms energy: -102.873643
where:
bonds (distance) C4'-P energy: -23.891
bonds (distance) P-C4' energy: -33.628
flat angles C4'-P-C4' energy: -24.070
flat angles P-C4'-P energy: -18.733
tors. eta vs tors. theta energy: -2.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -550.360673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.360673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.360673 (E_RNA)
where:
Base-Base interactions energy: -361.092
where: short stacking energy: -182.809
Base-Backbone interact. energy: -0.027
local terms energy: -189.241480
where:
bonds (distance) C4'-P energy: -37.279
bonds (distance) P-C4' energy: -33.790
flat angles C4'-P-C4' energy: -39.985
flat angles P-C4'-P energy: -25.334
tors. eta vs tors. theta energy: -52.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -529.143698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.143698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.143698 (E_RNA)
where:
Base-Base interactions energy: -351.065
where: short stacking energy: -182.170
Base-Backbone interact. energy: -0.669
local terms energy: -177.409231
where:
bonds (distance) C4'-P energy: -27.268
bonds (distance) P-C4' energy: -34.321
flat angles C4'-P-C4' energy: -38.865
flat angles P-C4'-P energy: -28.991
tors. eta vs tors. theta energy: -47.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -481.883885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.883885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.883885 (E_RNA)
where:
Base-Base interactions energy: -320.830
where: short stacking energy: -153.784
Base-Backbone interact. energy: -2.146
local terms energy: -158.907711
where:
bonds (distance) C4'-P energy: -35.272
bonds (distance) P-C4' energy: -24.790
flat angles C4'-P-C4' energy: -32.862
flat angles P-C4'-P energy: -27.014
tors. eta vs tors. theta energy: -38.969
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: 9
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -448.975007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.975007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.975007 (E_RNA)
where:
Base-Base interactions energy: -286.006
where: short stacking energy: -141.765
Base-Backbone interact. energy: -0.519
local terms energy: -162.449186
where:
bonds (distance) C4'-P energy: -27.370
bonds (distance) P-C4' energy: -38.362
flat angles C4'-P-C4' energy: -38.088
flat angles P-C4'-P energy: -28.439
tors. eta vs tors. theta energy: -30.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -426.986148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.986148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.986148 (E_RNA)
where:
Base-Base interactions energy: -282.039
where: short stacking energy: -131.467
Base-Backbone interact. energy: -0.237
local terms energy: -144.709257
where:
bonds (distance) C4'-P energy: -27.818
bonds (distance) P-C4' energy: -28.367
flat angles C4'-P-C4' energy: -34.804
flat angles P-C4'-P energy: -25.120
tors. eta vs tors. theta energy: -28.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -348.702865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.702865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.702865 (E_RNA)
where:
Base-Base interactions energy: -209.169
where: short stacking energy: -113.377
Base-Backbone interact. energy: -0.457
local terms energy: -139.076929
where:
bonds (distance) C4'-P energy: -27.380
bonds (distance) P-C4' energy: -40.070
flat angles C4'-P-C4' energy: -30.378
flat angles P-C4'-P energy: -20.057
tors. eta vs tors. theta energy: -21.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -353.645253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.645253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.645253 (E_RNA)
where:
Base-Base interactions energy: -226.299
where: short stacking energy: -102.913
Base-Backbone interact. energy: -0.293
local terms energy: -127.053642
where:
bonds (distance) C4'-P energy: -30.858
bonds (distance) P-C4' energy: -33.639
flat angles C4'-P-C4' energy: -29.301
flat angles P-C4'-P energy: -19.386
tors. eta vs tors. theta energy: -13.869
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: 1
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -348.227055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.227055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.227055 (E_RNA)
where:
Base-Base interactions energy: -210.179
where: short stacking energy: -105.225
Base-Backbone interact. energy: -1.876
local terms energy: -136.172348
where:
bonds (distance) C4'-P energy: -27.666
bonds (distance) P-C4' energy: -40.358
flat angles C4'-P-C4' energy: -24.886
flat angles P-C4'-P energy: -25.285
tors. eta vs tors. theta energy: -17.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -257.214587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.214587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.214587 (E_RNA)
where:
Base-Base interactions energy: -136.994
where: short stacking energy: -78.477
Base-Backbone interact. energy: -0.709
local terms energy: -119.511985
where:
bonds (distance) C4'-P energy: -24.978
bonds (distance) P-C4' energy: -30.778
flat angles C4'-P-C4' energy: -24.935
flat angles P-C4'-P energy: -20.162
tors. eta vs tors. theta energy: -18.659
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: 418
Temperature: 1.350000
Total energy: -221.599727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.599727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.599727 (E_RNA)
where:
Base-Base interactions energy: -101.136
where: short stacking energy: -57.649
Base-Backbone interact. energy: -0.722
local terms energy: -119.741725
where:
bonds (distance) C4'-P energy: -35.656
bonds (distance) P-C4' energy: -35.920
flat angles C4'-P-C4' energy: -24.202
flat angles P-C4'-P energy: -20.866
tors. eta vs tors. theta energy: -3.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -554.993009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.993009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.993009 (E_RNA)
where:
Base-Base interactions energy: -371.261
where: short stacking energy: -191.033
Base-Backbone interact. energy: -0.624
local terms energy: -183.107706
where:
bonds (distance) C4'-P energy: -26.647
bonds (distance) P-C4' energy: -35.000
flat angles C4'-P-C4' energy: -37.862
flat angles P-C4'-P energy: -24.648
tors. eta vs tors. theta energy: -58.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -496.212109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.212109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.212109 (E_RNA)
where:
Base-Base interactions energy: -319.944
where: short stacking energy: -157.786
Base-Backbone interact. energy: -1.096
local terms energy: -175.172228
where:
bonds (distance) C4'-P energy: -27.861
bonds (distance) P-C4' energy: -38.438
flat angles C4'-P-C4' energy: -38.444
flat angles P-C4'-P energy: -31.421
tors. eta vs tors. theta energy: -39.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -508.448275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.448275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.448275 (E_RNA)
where:
Base-Base interactions energy: -341.132
where: short stacking energy: -164.773
Base-Backbone interact. energy: -0.273
local terms energy: -167.042991
where:
bonds (distance) C4'-P energy: -34.465
bonds (distance) P-C4' energy: -28.077
flat angles C4'-P-C4' energy: -37.582
flat angles P-C4'-P energy: -24.555
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: 4, replica: 9
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -452.893342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.893342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.893342 (E_RNA)
where:
Base-Base interactions energy: -294.661
where: short stacking energy: -148.591
Base-Backbone interact. energy: -0.149
local terms energy: -158.083877
where:
bonds (distance) C4'-P energy: -30.377
bonds (distance) P-C4' energy: -37.405
flat angles C4'-P-C4' energy: -34.670
flat angles P-C4'-P energy: -19.486
tors. eta vs tors. theta energy: -36.145
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: 10
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -420.303245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.303245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.303245 (E_RNA)
where:
Base-Base interactions energy: -264.619
where: short stacking energy: -146.101
Base-Backbone interact. energy: -0.072
local terms energy: -155.612348
where:
bonds (distance) C4'-P energy: -32.496
bonds (distance) P-C4' energy: -28.553
flat angles C4'-P-C4' energy: -34.508
flat angles P-C4'-P energy: -20.270
tors. eta vs tors. theta energy: -39.786
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: 8
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -363.162815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.162815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.162815 (E_RNA)
where:
Base-Base interactions energy: -226.153
where: short stacking energy: -105.435
Base-Backbone interact. energy: 0.473
local terms energy: -137.483262
where:
bonds (distance) C4'-P energy: -33.044
bonds (distance) P-C4' energy: -35.304
flat angles C4'-P-C4' energy: -33.697
flat angles P-C4'-P energy: -15.666
tors. eta vs tors. theta energy: -19.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -335.283420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.283420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.283420 (E_RNA)
where:
Base-Base interactions energy: -205.482
where: short stacking energy: -111.153
Base-Backbone interact. energy: -0.758
local terms energy: -129.043811
where:
bonds (distance) C4'-P energy: -32.422
bonds (distance) P-C4' energy: -28.729
flat angles C4'-P-C4' energy: -32.451
flat angles P-C4'-P energy: -14.019
tors. eta vs tors. theta energy: -21.423
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: 3
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -271.786263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.786263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.786263 (E_RNA)
where:
Base-Base interactions energy: -145.896
where: short stacking energy: -89.941
Base-Backbone interact. energy: -0.798
local terms energy: -125.092722
where:
bonds (distance) C4'-P energy: -25.346
bonds (distance) P-C4' energy: -32.233
flat angles C4'-P-C4' energy: -30.516
flat angles P-C4'-P energy: -24.887
tors. eta vs tors. theta energy: -12.112
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: 9, replica: 1
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -329.036409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.036409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.036409 (E_RNA)
where:
Base-Base interactions energy: -216.980
where: short stacking energy: -88.752
Base-Backbone interact. energy: 1.080
local terms energy: -113.136005
where:
bonds (distance) C4'-P energy: -22.491
bonds (distance) P-C4' energy: -35.016
flat angles C4'-P-C4' energy: -29.610
flat angles P-C4'-P energy: -19.248
tors. eta vs tors. theta energy: -6.771
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: 7
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -229.851918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.851918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.851918 (E_RNA)
where:
Base-Base interactions energy: -121.525
where: short stacking energy: -73.368
Base-Backbone interact. energy: -0.150
local terms energy: -108.176382
where:
bonds (distance) C4'-P energy: -27.109
bonds (distance) P-C4' energy: -29.192
flat angles C4'-P-C4' energy: -25.276
flat angles P-C4'-P energy: -7.081
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: 1, replica: 5
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -552.786409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.786409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.786409 (E_RNA)
where:
Base-Base interactions energy: -356.071
where: short stacking energy: -185.413
Base-Backbone interact. energy: -0.988
local terms energy: -195.728125
where:
bonds (distance) C4'-P energy: -32.267
bonds (distance) P-C4' energy: -36.895
flat angles C4'-P-C4' energy: -39.999
flat angles P-C4'-P energy: -28.137
tors. eta vs tors. theta energy: -58.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -500.123193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.123193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.123193 (E_RNA)
where:
Base-Base interactions energy: -330.781
where: short stacking energy: -153.904
Base-Backbone interact. energy: -1.053
local terms energy: -168.289358
where:
bonds (distance) C4'-P energy: -25.924
bonds (distance) P-C4' energy: -37.708
flat angles C4'-P-C4' energy: -41.066
flat angles P-C4'-P energy: -22.147
tors. eta vs tors. theta energy: -41.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -470.752977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.752977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.752977 (E_RNA)
where:
Base-Base interactions energy: -304.351
where: short stacking energy: -160.025
Base-Backbone interact. energy: 0.007
local terms energy: -166.409352
where:
bonds (distance) C4'-P energy: -31.641
bonds (distance) P-C4' energy: -30.101
flat angles C4'-P-C4' energy: -38.485
flat angles P-C4'-P energy: -25.797
tors. eta vs tors. theta energy: -40.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -449.414847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.414847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.414847 (E_RNA)
where:
Base-Base interactions energy: -291.892
where: short stacking energy: -143.092
Base-Backbone interact. energy: -0.352
local terms energy: -157.171222
where:
bonds (distance) C4'-P energy: -32.877
bonds (distance) P-C4' energy: -31.537
flat angles C4'-P-C4' energy: -34.371
flat angles P-C4'-P energy: -23.515
tors. eta vs tors. theta energy: -34.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -424.294023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.294023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.294023 (E_RNA)
where:
Base-Base interactions energy: -268.536
where: short stacking energy: -131.908
Base-Backbone interact. energy: -0.276
local terms energy: -155.481765
where:
bonds (distance) C4'-P energy: -27.993
bonds (distance) P-C4' energy: -36.065
flat angles C4'-P-C4' energy: -38.314
flat angles P-C4'-P energy: -23.702
tors. eta vs tors. theta energy: -29.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -368.832834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.832834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.832834 (E_RNA)
where:
Base-Base interactions energy: -225.215
where: short stacking energy: -108.266
Base-Backbone interact. energy: -0.370
local terms energy: -143.247881
where:
bonds (distance) C4'-P energy: -29.608
bonds (distance) P-C4' energy: -35.272
flat angles C4'-P-C4' energy: -33.439
flat angles P-C4'-P energy: -22.600
tors. eta vs tors. theta energy: -22.329
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: 2
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -354.670787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.670787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.670787 (E_RNA)
where:
Base-Base interactions energy: -223.605
where: short stacking energy: -108.182
Base-Backbone interact. energy: -0.182
local terms energy: -130.884070
where:
bonds (distance) C4'-P energy: -24.926
bonds (distance) P-C4' energy: -26.632
flat angles C4'-P-C4' energy: -34.488
flat angles P-C4'-P energy: -17.532
tors. eta vs tors. theta energy: -27.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -245.134720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.134720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.134720 (E_RNA)
where:
Base-Base interactions energy: -143.420
where: short stacking energy: -74.892
Base-Backbone interact. energy: -0.794
local terms energy: -100.921223
where:
bonds (distance) C4'-P energy: -21.725
bonds (distance) P-C4' energy: -22.602
flat angles C4'-P-C4' energy: -27.414
flat angles P-C4'-P energy: -19.413
tors. eta vs tors. theta energy: -9.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -291.923285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.923285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.923285 (E_RNA)
where:
Base-Base interactions energy: -181.656
where: short stacking energy: -82.569
Base-Backbone interact. energy: 0.543
local terms energy: -110.810980
where:
bonds (distance) C4'-P energy: -22.429
bonds (distance) P-C4' energy: -28.905
flat angles C4'-P-C4' energy: -28.741
flat angles P-C4'-P energy: -15.421
tors. eta vs tors. theta energy: -15.314
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: 7
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -227.831662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.831662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.831662 (E_RNA)
where:
Base-Base interactions energy: -115.090
where: short stacking energy: -66.683
Base-Backbone interact. energy: -0.679
local terms energy: -112.063144
where:
bonds (distance) C4'-P energy: -24.794
bonds (distance) P-C4' energy: -31.604
flat angles C4'-P-C4' energy: -29.808
flat angles P-C4'-P energy: -10.409
tors. eta vs tors. theta energy: -15.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -569.889951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.889951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.889951 (E_RNA)
where:
Base-Base interactions energy: -380.240
where: short stacking energy: -193.497
Base-Backbone interact. energy: 2.444
local terms energy: -192.094205
where:
bonds (distance) C4'-P energy: -36.754
bonds (distance) P-C4' energy: -31.375
flat angles C4'-P-C4' energy: -40.688
flat angles P-C4'-P energy: -31.007
tors. eta vs tors. theta energy: -52.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -484.382677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.382677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.382677 (E_RNA)
where:
Base-Base interactions energy: -321.070
where: short stacking energy: -154.543
Base-Backbone interact. energy: -1.346
local terms energy: -161.966245
where:
bonds (distance) C4'-P energy: -31.674
bonds (distance) P-C4' energy: -36.000
flat angles C4'-P-C4' energy: -37.554
flat angles P-C4'-P energy: -22.426
tors. eta vs tors. theta energy: -34.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -480.584699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.584699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.584699 (E_RNA)
where:
Base-Base interactions energy: -323.754
where: short stacking energy: -147.530
Base-Backbone interact. energy: -0.517
local terms energy: -156.313953
where:
bonds (distance) C4'-P energy: -32.492
bonds (distance) P-C4' energy: -27.323
flat angles C4'-P-C4' energy: -32.360
flat angles P-C4'-P energy: -24.439
tors. eta vs tors. theta energy: -39.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -487.537194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.537194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.537194 (E_RNA)
where:
Base-Base interactions energy: -308.025
where: short stacking energy: -168.735
Base-Backbone interact. energy: 0.368
local terms energy: -179.880004
where:
bonds (distance) C4'-P energy: -29.010
bonds (distance) P-C4' energy: -35.155
flat angles C4'-P-C4' energy: -37.177
flat angles P-C4'-P energy: -31.809
tors. eta vs tors. theta energy: -46.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -408.408730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.408730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.408730 (E_RNA)
where:
Base-Base interactions energy: -257.698
where: short stacking energy: -117.063
Base-Backbone interact. energy: 0.927
local terms energy: -151.637968
where:
bonds (distance) C4'-P energy: -30.048
bonds (distance) P-C4' energy: -39.621
flat angles C4'-P-C4' energy: -28.612
flat angles P-C4'-P energy: -21.025
tors. eta vs tors. theta energy: -32.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -365.804046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.804046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.804046 (E_RNA)
where:
Base-Base interactions energy: -230.548
where: short stacking energy: -111.887
Base-Backbone interact. energy: 1.307
local terms energy: -136.562447
where:
bonds (distance) C4'-P energy: -28.004
bonds (distance) P-C4' energy: -32.232
flat angles C4'-P-C4' energy: -32.974
flat angles P-C4'-P energy: -19.537
tors. eta vs tors. theta energy: -23.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -367.217329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.217329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.217329 (E_RNA)
where:
Base-Base interactions energy: -231.821
where: short stacking energy: -114.931
Base-Backbone interact. energy: 1.308
local terms energy: -136.704645
where:
bonds (distance) C4'-P energy: -34.602
bonds (distance) P-C4' energy: -31.147
flat angles C4'-P-C4' energy: -31.454
flat angles P-C4'-P energy: -20.996
tors. eta vs tors. theta energy: -18.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -312.501931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.501931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.501931 (E_RNA)
where:
Base-Base interactions energy: -182.650
where: short stacking energy: -91.661
Base-Backbone interact. energy: -0.200
local terms energy: -129.651904
where:
bonds (distance) C4'-P energy: -30.452
bonds (distance) P-C4' energy: -28.026
flat angles C4'-P-C4' energy: -33.159
flat angles P-C4'-P energy: -19.920
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: 3
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -236.631058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.631058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.631058 (E_RNA)
where:
Base-Base interactions energy: -138.135
where: short stacking energy: -82.756
Base-Backbone interact. energy: 4.795
local terms energy: -103.291411
where:
bonds (distance) C4'-P energy: -17.524
bonds (distance) P-C4' energy: -24.133
flat angles C4'-P-C4' energy: -29.169
flat angles P-C4'-P energy: -21.985
tors. eta vs tors. theta energy: -10.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -240.754776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.754776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.754776 (E_RNA)
where:
Base-Base interactions energy: -141.417
where: short stacking energy: -68.795
Base-Backbone interact. energy: -0.472
local terms energy: -98.865556
where:
bonds (distance) C4'-P energy: -28.092
bonds (distance) P-C4' energy: -27.886
flat angles C4'-P-C4' energy: -29.517
flat angles P-C4'-P energy: -12.245
tors. eta vs tors. theta energy: -1.126
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: 1, replica: 5
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -555.145790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.145790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.145790 (E_RNA)
where:
Base-Base interactions energy: -366.387
where: short stacking energy: -193.715
Base-Backbone interact. energy: 0.522
local terms energy: -189.280639
where:
bonds (distance) C4'-P energy: -25.240
bonds (distance) P-C4' energy: -37.684
flat angles C4'-P-C4' energy: -41.070
flat angles P-C4'-P energy: -31.011
tors. eta vs tors. theta energy: -54.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -502.232595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.232595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.232595 (E_RNA)
where:
Base-Base interactions energy: -342.351
where: short stacking energy: -161.998
Base-Backbone interact. energy: -2.535
local terms energy: -157.347089
where:
bonds (distance) C4'-P energy: -35.066
bonds (distance) P-C4' energy: -24.399
flat angles C4'-P-C4' energy: -34.947
flat angles P-C4'-P energy: -27.593
tors. eta vs tors. theta energy: -35.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -504.421529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.421529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.421529 (E_RNA)
where:
Base-Base interactions energy: -333.557
where: short stacking energy: -154.677
Base-Backbone interact. energy: -0.546
local terms energy: -170.318626
where:
bonds (distance) C4'-P energy: -31.505
bonds (distance) P-C4' energy: -31.821
flat angles C4'-P-C4' energy: -37.608
flat angles P-C4'-P energy: -25.888
tors. eta vs tors. theta energy: -43.496
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: 4, replica: 9
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -457.216721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.216721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.216721 (E_RNA)
where:
Base-Base interactions energy: -299.372
where: short stacking energy: -149.030
Base-Backbone interact. energy: -0.467
local terms energy: -157.377912
where:
bonds (distance) C4'-P energy: -33.782
bonds (distance) P-C4' energy: -33.835
flat angles C4'-P-C4' energy: -31.298
flat angles P-C4'-P energy: -22.200
tors. eta vs tors. theta energy: -36.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -430.408465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.408465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.408465 (E_RNA)
where:
Base-Base interactions energy: -277.578
where: short stacking energy: -136.760
Base-Backbone interact. energy: -0.259
local terms energy: -152.572096
where:
bonds (distance) C4'-P energy: -26.132
bonds (distance) P-C4' energy: -27.916
flat angles C4'-P-C4' energy: -39.618
flat angles P-C4'-P energy: -26.781
tors. eta vs tors. theta energy: -32.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -391.828610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.828610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.828610 (E_RNA)
where:
Base-Base interactions energy: -251.441
where: short stacking energy: -120.425
Base-Backbone interact. energy: 0.368
local terms energy: -140.755740
where:
bonds (distance) C4'-P energy: -34.009
bonds (distance) P-C4' energy: -31.555
flat angles C4'-P-C4' energy: -26.364
flat angles P-C4'-P energy: -18.644
tors. eta vs tors. theta energy: -30.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -350.831681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.831681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.831681 (E_RNA)
where:
Base-Base interactions energy: -209.561
where: short stacking energy: -106.836
Base-Backbone interact. energy: -0.729
local terms energy: -140.541491
where:
bonds (distance) C4'-P energy: -28.504
bonds (distance) P-C4' energy: -33.118
flat angles C4'-P-C4' energy: -30.532
flat angles P-C4'-P energy: -19.100
tors. eta vs tors. theta energy: -29.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -343.688572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.688572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.688572 (E_RNA)
where:
Base-Base interactions energy: -198.985
where: short stacking energy: -113.274
Base-Backbone interact. energy: -0.156
local terms energy: -144.547489
where:
bonds (distance) C4'-P energy: -30.470
bonds (distance) P-C4' energy: -32.710
flat angles C4'-P-C4' energy: -38.375
flat angles P-C4'-P energy: -15.588
tors. eta vs tors. theta energy: -27.404
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: 7
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -231.708970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.708970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.708970 (E_RNA)
where:
Base-Base interactions energy: -129.582
where: short stacking energy: -68.685
Base-Backbone interact. energy: 0.417
local terms energy: -102.543817
where:
bonds (distance) C4'-P energy: -29.641
bonds (distance) P-C4' energy: -33.124
flat angles C4'-P-C4' energy: -24.883
flat angles P-C4'-P energy: -12.699
tors. eta vs tors. theta energy: -2.197
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: 422
Temperature: 1.350000
Total energy: -226.004932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.004932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.004932 (E_RNA)
where:
Base-Base interactions energy: -113.718
where: short stacking energy: -61.792
Base-Backbone interact. energy: 3.573
local terms energy: -115.860467
where:
bonds (distance) C4'-P energy: -32.982
bonds (distance) P-C4' energy: -29.489
flat angles C4'-P-C4' energy: -26.718
flat angles P-C4'-P energy: -20.063
tors. eta vs tors. theta energy: -6.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -562.062706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.062706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.062706 (E_RNA)
where:
Base-Base interactions energy: -375.421
where: short stacking energy: -186.157
Base-Backbone interact. energy: -0.522
local terms energy: -186.119426
where:
bonds (distance) C4'-P energy: -34.647
bonds (distance) P-C4' energy: -36.700
flat angles C4'-P-C4' energy: -37.078
flat angles P-C4'-P energy: -20.212
tors. eta vs tors. theta energy: -57.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -513.284219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.284219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.284219 (E_RNA)
where:
Base-Base interactions energy: -332.130
where: short stacking energy: -178.915
Base-Backbone interact. energy: -0.570
local terms energy: -180.584009
where:
bonds (distance) C4'-P energy: -32.838
bonds (distance) P-C4' energy: -30.748
flat angles C4'-P-C4' energy: -39.068
flat angles P-C4'-P energy: -30.411
tors. eta vs tors. theta energy: -47.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -483.188693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.188693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.188693 (E_RNA)
where:
Base-Base interactions energy: -330.946
where: short stacking energy: -142.197
Base-Backbone interact. energy: 0.167
local terms energy: -152.409784
where:
bonds (distance) C4'-P energy: -22.010
bonds (distance) P-C4' energy: -33.519
flat angles C4'-P-C4' energy: -36.050
flat angles P-C4'-P energy: -27.114
tors. eta vs tors. theta energy: -33.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -461.144429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.144429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.144429 (E_RNA)
where:
Base-Base interactions energy: -294.293
where: short stacking energy: -156.962
Base-Backbone interact. energy: -0.102
local terms energy: -166.748760
where:
bonds (distance) C4'-P energy: -31.579
bonds (distance) P-C4' energy: -32.720
flat angles C4'-P-C4' energy: -34.119
flat angles P-C4'-P energy: -24.422
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: 9
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -455.632357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.632357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.632357 (E_RNA)
where:
Base-Base interactions energy: -292.492
where: short stacking energy: -146.663
Base-Backbone interact. energy: -0.185
local terms energy: -162.954973
where:
bonds (distance) C4'-P energy: -35.248
bonds (distance) P-C4' energy: -29.316
flat angles C4'-P-C4' energy: -36.819
flat angles P-C4'-P energy: -20.929
tors. eta vs tors. theta energy: -40.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -356.811382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.811382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.811382 (E_RNA)
where:
Base-Base interactions energy: -206.334
where: short stacking energy: -98.055
Base-Backbone interact. energy: -0.157
local terms energy: -150.320266
where:
bonds (distance) C4'-P energy: -29.402
bonds (distance) P-C4' energy: -35.686
flat angles C4'-P-C4' energy: -30.011
flat angles P-C4'-P energy: -25.892
tors. eta vs tors. theta energy: -29.329
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: 2
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -399.142080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.142080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.142080 (E_RNA)
where:
Base-Base interactions energy: -253.707
where: short stacking energy: -121.895
Base-Backbone interact. energy: -0.483
local terms energy: -144.952252
where:
bonds (distance) C4'-P energy: -25.961
bonds (distance) P-C4' energy: -26.555
flat angles C4'-P-C4' energy: -34.591
flat angles P-C4'-P energy: -26.162
tors. eta vs tors. theta energy: -31.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -318.368823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.368823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.368823 (E_RNA)
where:
Base-Base interactions energy: -198.100
where: short stacking energy: -94.673
Base-Backbone interact. energy: 1.078
local terms energy: -121.346963
where:
bonds (distance) C4'-P energy: -29.478
bonds (distance) P-C4' energy: -31.640
flat angles C4'-P-C4' energy: -28.065
flat angles P-C4'-P energy: -13.610
tors. eta vs tors. theta energy: -18.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -234.733082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.733082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.733082 (E_RNA)
where:
Base-Base interactions energy: -123.610
where: short stacking energy: -84.229
Base-Backbone interact. energy: 2.104
local terms energy: -113.227503
where:
bonds (distance) C4'-P energy: -27.766
bonds (distance) P-C4' energy: -22.782
flat angles C4'-P-C4' energy: -28.487
flat angles P-C4'-P energy: -18.208
tors. eta vs tors. theta energy: -15.985
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: 423
Temperature: 1.350000
Total energy: -241.857722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.857722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.857722 (E_RNA)
where:
Base-Base interactions energy: -134.186
where: short stacking energy: -69.657
Base-Backbone interact. energy: -0.380
local terms energy: -107.291429
where:
bonds (distance) C4'-P energy: -23.723
bonds (distance) P-C4' energy: -25.976
flat angles C4'-P-C4' energy: -22.989
flat angles P-C4'-P energy: -20.264
tors. eta vs tors. theta energy: -14.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -558.921223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.921223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.921223 (E_RNA)
where:
Base-Base interactions energy: -361.878
where: short stacking energy: -184.294
Base-Backbone interact. energy: -0.073
local terms energy: -196.970483
where:
bonds (distance) C4'-P energy: -29.610
bonds (distance) P-C4' energy: -38.129
flat angles C4'-P-C4' energy: -37.124
flat angles P-C4'-P energy: -34.120
tors. eta vs tors. theta energy: -57.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -525.263027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.263027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.263027 (E_RNA)
where:
Base-Base interactions energy: -345.898
where: short stacking energy: -167.267
Base-Backbone interact. energy: 0.117
local terms energy: -179.482686
where:
bonds (distance) C4'-P energy: -37.950
bonds (distance) P-C4' energy: -39.046
flat angles C4'-P-C4' energy: -40.427
flat angles P-C4'-P energy: -20.981
tors. eta vs tors. theta energy: -41.079
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: 10
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -474.738088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.738088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.738088 (E_RNA)
where:
Base-Base interactions energy: -305.031
where: short stacking energy: -165.570
Base-Backbone interact. energy: -0.161
local terms energy: -169.545967
where:
bonds (distance) C4'-P energy: -35.072
bonds (distance) P-C4' energy: -35.910
flat angles C4'-P-C4' energy: -36.147
flat angles P-C4'-P energy: -20.819
tors. eta vs tors. theta energy: -41.597
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: 4
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -485.251846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.251846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.251846 (E_RNA)
where:
Base-Base interactions energy: -323.757
where: short stacking energy: -148.299
Base-Backbone interact. energy: 1.124
local terms energy: -162.619271
where:
bonds (distance) C4'-P energy: -26.019
bonds (distance) P-C4' energy: -38.294
flat angles C4'-P-C4' energy: -37.878
flat angles P-C4'-P energy: -20.798
tors. eta vs tors. theta energy: -39.630
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: 5, replica: 9
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -422.699751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.699751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.699751 (E_RNA)
where:
Base-Base interactions energy: -264.774
where: short stacking energy: -126.900
Base-Backbone interact. energy: -0.277
local terms energy: -157.648845
where:
bonds (distance) C4'-P energy: -31.281
bonds (distance) P-C4' energy: -29.545
flat angles C4'-P-C4' energy: -41.583
flat angles P-C4'-P energy: -28.450
tors. eta vs tors. theta energy: -26.790
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: 8
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -374.066734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.066734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.066734 (E_RNA)
where:
Base-Base interactions energy: -234.752
where: short stacking energy: -127.671
Base-Backbone interact. energy: -1.123
local terms energy: -138.191520
where:
bonds (distance) C4'-P energy: -29.393
bonds (distance) P-C4' energy: -24.605
flat angles C4'-P-C4' energy: -32.753
flat angles P-C4'-P energy: -22.744
tors. eta vs tors. theta energy: -28.695
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: 2
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -332.639113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.639113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.639113 (E_RNA)
where:
Base-Base interactions energy: -202.928
where: short stacking energy: -99.522
Base-Backbone interact. energy: -2.342
local terms energy: -127.368567
where:
bonds (distance) C4'-P energy: -31.603
bonds (distance) P-C4' energy: -31.538
flat angles C4'-P-C4' energy: -33.873
flat angles P-C4'-P energy: -16.566
tors. eta vs tors. theta energy: -13.788
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: 1
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -311.427718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.427718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.427718 (E_RNA)
where:
Base-Base interactions energy: -205.236
where: short stacking energy: -82.653
Base-Backbone interact. energy: -0.788
local terms energy: -105.404285
where:
bonds (distance) C4'-P energy: -15.505
bonds (distance) P-C4' energy: -30.520
flat angles C4'-P-C4' energy: -29.553
flat angles P-C4'-P energy: -11.620
tors. eta vs tors. theta energy: -18.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -227.579031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.579031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.579031 (E_RNA)
where:
Base-Base interactions energy: -122.322
where: short stacking energy: -68.225
Base-Backbone interact. energy: 1.698
local terms energy: -106.954624
where:
bonds (distance) C4'-P energy: -27.036
bonds (distance) P-C4' energy: -32.311
flat angles C4'-P-C4' energy: -26.569
flat angles P-C4'-P energy: -16.747
tors. eta vs tors. theta energy: -4.291
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: 10, replica: 7
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -218.864742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.864742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.864742 (E_RNA)
where:
Base-Base interactions energy: -103.142
where: short stacking energy: -58.294
Base-Backbone interact. energy: -0.383
local terms energy: -115.340631
where:
bonds (distance) C4'-P energy: -30.740
bonds (distance) P-C4' energy: -37.003
flat angles C4'-P-C4' energy: -25.023
flat angles P-C4'-P energy: -18.225
tors. eta vs tors. theta energy: -4.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -555.205766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.205766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.205766 (E_RNA)
where:
Base-Base interactions energy: -375.067
where: short stacking energy: -185.231
Base-Backbone interact. energy: -0.003
local terms energy: -180.135786
where:
bonds (distance) C4'-P energy: -29.541
bonds (distance) P-C4' energy: -35.129
flat angles C4'-P-C4' energy: -33.441
flat angles P-C4'-P energy: -25.828
tors. eta vs tors. theta energy: -56.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -491.174922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.174922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.174922 (E_RNA)
where:
Base-Base interactions energy: -310.374
where: short stacking energy: -166.361
Base-Backbone interact. energy: 0.907
local terms energy: -181.708537
where:
bonds (distance) C4'-P energy: -34.736
bonds (distance) P-C4' energy: -28.724
flat angles C4'-P-C4' energy: -42.140
flat angles P-C4'-P energy: -27.371
tors. eta vs tors. theta energy: -48.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -491.436030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.436030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.436030 (E_RNA)
where:
Base-Base interactions energy: -319.357
where: short stacking energy: -145.278
Base-Backbone interact. energy: -0.700
local terms energy: -171.379245
where:
bonds (distance) C4'-P energy: -31.782
bonds (distance) P-C4' energy: -36.280
flat angles C4'-P-C4' energy: -37.678
flat angles P-C4'-P energy: -25.593
tors. eta vs tors. theta energy: -40.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -456.513109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.513109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.513109 (E_RNA)
where:
Base-Base interactions energy: -303.562
where: short stacking energy: -142.701
Base-Backbone interact. energy: -0.193
local terms energy: -152.758351
where:
bonds (distance) C4'-P energy: -31.861
bonds (distance) P-C4' energy: -31.095
flat angles C4'-P-C4' energy: -35.070
flat angles P-C4'-P energy: -20.418
tors. eta vs tors. theta energy: -34.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -415.341379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.341379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.341379 (E_RNA)
where:
Base-Base interactions energy: -270.813
where: short stacking energy: -124.905
Base-Backbone interact. energy: 2.157
local terms energy: -146.685605
where:
bonds (distance) C4'-P energy: -24.623
bonds (distance) P-C4' energy: -33.632
flat angles C4'-P-C4' energy: -36.596
flat angles P-C4'-P energy: -24.078
tors. eta vs tors. theta energy: -27.757
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: 6, replica: 2
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -357.779247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.779247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.779247 (E_RNA)
where:
Base-Base interactions energy: -214.942
where: short stacking energy: -116.789
Base-Backbone interact. energy: -0.934
local terms energy: -141.903284
where:
bonds (distance) C4'-P energy: -30.578
bonds (distance) P-C4' energy: -34.421
flat angles C4'-P-C4' energy: -23.101
flat angles P-C4'-P energy: -29.321
tors. eta vs tors. theta energy: -24.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -339.017170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.017170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.017170 (E_RNA)
where:
Base-Base interactions energy: -206.713
where: short stacking energy: -117.829
Base-Backbone interact. energy: -1.007
local terms energy: -131.297172
where:
bonds (distance) C4'-P energy: -30.020
bonds (distance) P-C4' energy: -28.423
flat angles C4'-P-C4' energy: -32.651
flat angles P-C4'-P energy: -16.934
tors. eta vs tors. theta energy: -23.270
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: 1
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -325.359090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.359090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.359090 (E_RNA)
where:
Base-Base interactions energy: -201.858
where: short stacking energy: -105.979
Base-Backbone interact. energy: -0.387
local terms energy: -123.114619
where:
bonds (distance) C4'-P energy: -28.639
bonds (distance) P-C4' energy: -31.153
flat angles C4'-P-C4' energy: -23.884
flat angles P-C4'-P energy: -20.302
tors. eta vs tors. theta energy: -19.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -233.141119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.141119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.141119 (E_RNA)
where:
Base-Base interactions energy: -128.678
where: short stacking energy: -72.435
Base-Backbone interact. energy: -0.254
local terms energy: -104.209343
where:
bonds (distance) C4'-P energy: -21.713
bonds (distance) P-C4' energy: -29.211
flat angles C4'-P-C4' energy: -18.663
flat angles P-C4'-P energy: -28.209
tors. eta vs tors. theta energy: -6.414
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: 7
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -223.715500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.715500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.715500 (E_RNA)
where:
Base-Base interactions energy: -126.051
where: short stacking energy: -64.037
Base-Backbone interact. energy: -0.243
local terms energy: -97.421897
where:
bonds (distance) C4'-P energy: -17.556
bonds (distance) P-C4' energy: -38.818
flat angles C4'-P-C4' energy: -27.743
flat angles P-C4'-P energy: -15.907
tors. eta vs tors. theta energy: 2.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -561.844421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.844421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.844421 (E_RNA)
where:
Base-Base interactions energy: -367.547
where: short stacking energy: -200.908
Base-Backbone interact. energy: -0.331
local terms energy: -193.966797
where:
bonds (distance) C4'-P energy: -33.070
bonds (distance) P-C4' energy: -39.818
flat angles C4'-P-C4' energy: -39.361
flat angles P-C4'-P energy: -27.814
tors. eta vs tors. theta energy: -53.904
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: 10
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -496.198168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.198168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.198168 (E_RNA)
where:
Base-Base interactions energy: -314.969
where: short stacking energy: -160.262
Base-Backbone interact. energy: -0.571
local terms energy: -180.657309
where:
bonds (distance) C4'-P energy: -33.915
bonds (distance) P-C4' energy: -39.558
flat angles C4'-P-C4' energy: -36.057
flat angles P-C4'-P energy: -29.559
tors. eta vs tors. theta energy: -41.568
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: 6
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -491.206759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.206759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.206759 (E_RNA)
where:
Base-Base interactions energy: -331.350
where: short stacking energy: -152.086
Base-Backbone interact. energy: -0.311
local terms energy: -159.546150
where:
bonds (distance) C4'-P energy: -28.557
bonds (distance) P-C4' energy: -39.340
flat angles C4'-P-C4' energy: -31.482
flat angles P-C4'-P energy: -16.815
tors. eta vs tors. theta energy: -43.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -481.222062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.222062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.222062 (E_RNA)
where:
Base-Base interactions energy: -323.083
where: short stacking energy: -149.818
Base-Backbone interact. energy: 2.998
local terms energy: -161.137482
where:
bonds (distance) C4'-P energy: -35.331
bonds (distance) P-C4' energy: -36.265
flat angles C4'-P-C4' energy: -35.879
flat angles P-C4'-P energy: -17.857
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: 5, replica: 9
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -439.832258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.832258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.832258 (E_RNA)
where:
Base-Base interactions energy: -273.163
where: short stacking energy: -132.416
Base-Backbone interact. energy: -0.559
local terms energy: -166.110238
where:
bonds (distance) C4'-P energy: -37.703
bonds (distance) P-C4' energy: -31.312
flat angles C4'-P-C4' energy: -33.741
flat angles P-C4'-P energy: -27.314
tors. eta vs tors. theta energy: -36.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -376.470326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.470326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.470326 (E_RNA)
where:
Base-Base interactions energy: -241.678
where: short stacking energy: -129.268
Base-Backbone interact. energy: -1.028
local terms energy: -133.764590
where:
bonds (distance) C4'-P energy: -31.673
bonds (distance) P-C4' energy: -31.153
flat angles C4'-P-C4' energy: -24.228
flat angles P-C4'-P energy: -20.166
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: 7, replica: 8
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -324.546260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.546260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.546260 (E_RNA)
where:
Base-Base interactions energy: -199.393
where: short stacking energy: -97.093
Base-Backbone interact. energy: -0.211
local terms energy: -124.941844
where:
bonds (distance) C4'-P energy: -24.222
bonds (distance) P-C4' energy: -34.378
flat angles C4'-P-C4' energy: -31.349
flat angles P-C4'-P energy: -21.147
tors. eta vs tors. theta energy: -13.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -329.597874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.597874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.597874 (E_RNA)
where:
Base-Base interactions energy: -195.663
where: short stacking energy: -103.321
Base-Backbone interact. energy: -0.575
local terms energy: -133.360032
where:
bonds (distance) C4'-P energy: -34.369
bonds (distance) P-C4' energy: -28.857
flat angles C4'-P-C4' energy: -33.343
flat angles P-C4'-P energy: -17.879
tors. eta vs tors. theta energy: -18.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -264.011418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.011418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.011418 (E_RNA)
where:
Base-Base interactions energy: -138.454
where: short stacking energy: -80.575
Base-Backbone interact. energy: -0.419
local terms energy: -125.137917
where:
bonds (distance) C4'-P energy: -29.379
bonds (distance) P-C4' energy: -29.322
flat angles C4'-P-C4' energy: -27.896
flat angles P-C4'-P energy: -22.878
tors. eta vs tors. theta energy: -15.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -241.242200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.242200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.242200 (E_RNA)
where:
Base-Base interactions energy: -124.428
where: short stacking energy: -70.041
Base-Backbone interact. energy: 1.280
local terms energy: -118.093839
where:
bonds (distance) C4'-P energy: -32.120
bonds (distance) P-C4' energy: -32.823
flat angles C4'-P-C4' energy: -22.844
flat angles P-C4'-P energy: -18.877
tors. eta vs tors. theta energy: -11.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -571.246039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.246039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.246039 (E_RNA)
where:
Base-Base interactions energy: -371.103
where: short stacking energy: -184.811
Base-Backbone interact. energy: -0.621
local terms energy: -199.521256
where:
bonds (distance) C4'-P energy: -40.380
bonds (distance) P-C4' energy: -33.232
flat angles C4'-P-C4' energy: -38.690
flat angles P-C4'-P energy: -27.031
tors. eta vs tors. theta energy: -60.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -521.848392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.848392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.848392 (E_RNA)
where:
Base-Base interactions energy: -343.690
where: short stacking energy: -164.779
Base-Backbone interact. energy: -1.379
local terms energy: -176.779035
where:
bonds (distance) C4'-P energy: -33.704
bonds (distance) P-C4' energy: -37.479
flat angles C4'-P-C4' energy: -35.155
flat angles P-C4'-P energy: -28.688
tors. eta vs tors. theta energy: -41.754
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: 10
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -475.493873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.493873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.493873 (E_RNA)
where:
Base-Base interactions energy: -304.296
where: short stacking energy: -153.050
Base-Backbone interact. energy: -0.223
local terms energy: -170.975011
where:
bonds (distance) C4'-P energy: -35.342
bonds (distance) P-C4' energy: -32.294
flat angles C4'-P-C4' energy: -36.870
flat angles P-C4'-P energy: -19.723
tors. eta vs tors. theta energy: -46.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -438.075191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.075191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.075191 (E_RNA)
where:
Base-Base interactions energy: -285.712
where: short stacking energy: -142.529
Base-Backbone interact. energy: -0.289
local terms energy: -152.074508
where:
bonds (distance) C4'-P energy: -26.645
bonds (distance) P-C4' energy: -28.327
flat angles C4'-P-C4' energy: -36.543
flat angles P-C4'-P energy: -26.515
tors. eta vs tors. theta energy: -34.046
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: 427
Temperature: 1.100000
Total energy: -440.152538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.152538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.152538 (E_RNA)
where:
Base-Base interactions energy: -301.648
where: short stacking energy: -136.724
Base-Backbone interact. energy: 2.986
local terms energy: -141.491158
where:
bonds (distance) C4'-P energy: -24.240
bonds (distance) P-C4' energy: -30.220
flat angles C4'-P-C4' energy: -36.230
flat angles P-C4'-P energy: -21.100
tors. eta vs tors. theta energy: -29.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -355.908542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.908542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.908542 (E_RNA)
where:
Base-Base interactions energy: -214.990
where: short stacking energy: -108.543
Base-Backbone interact. energy: -0.577
local terms energy: -140.341594
where:
bonds (distance) C4'-P energy: -28.835
bonds (distance) P-C4' energy: -31.602
flat angles C4'-P-C4' energy: -35.946
flat angles P-C4'-P energy: -23.044
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: 7, replica: 8
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -343.264502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.264502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.264502 (E_RNA)
where:
Base-Base interactions energy: -212.377
where: short stacking energy: -110.200
Base-Backbone interact. energy: 0.794
local terms energy: -131.681183
where:
bonds (distance) C4'-P energy: -31.650
bonds (distance) P-C4' energy: -29.571
flat angles C4'-P-C4' energy: -31.689
flat angles P-C4'-P energy: -16.873
tors. eta vs tors. theta energy: -21.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -345.022975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.022975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.022975 (E_RNA)
where:
Base-Base interactions energy: -210.654
where: short stacking energy: -98.929
Base-Backbone interact. energy: -1.285
local terms energy: -133.084477
where:
bonds (distance) C4'-P energy: -31.164
bonds (distance) P-C4' energy: -28.840
flat angles C4'-P-C4' energy: -33.250
flat angles P-C4'-P energy: -13.646
tors. eta vs tors. theta energy: -26.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -254.467159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.467159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.467159 (E_RNA)
where:
Base-Base interactions energy: -149.831
where: short stacking energy: -95.785
Base-Backbone interact. energy: -0.302
local terms energy: -104.333893
where:
bonds (distance) C4'-P energy: -24.440
bonds (distance) P-C4' energy: -27.750
flat angles C4'-P-C4' energy: -25.020
flat angles P-C4'-P energy: -10.928
tors. eta vs tors. theta energy: -16.195
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: 427
Temperature: 1.350000
Total energy: -239.570152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.570152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.570152 (E_RNA)
where:
Base-Base interactions energy: -141.251
where: short stacking energy: -91.988
Base-Backbone interact. energy: 6.670
local terms energy: -104.988339
where:
bonds (distance) C4'-P energy: -27.703
bonds (distance) P-C4' energy: -21.583
flat angles C4'-P-C4' energy: -17.043
flat angles P-C4'-P energy: -21.405
tors. eta vs tors. theta energy: -17.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -574.858310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.858310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.858310 (E_RNA)
where:
Base-Base interactions energy: -380.572
where: short stacking energy: -191.639
Base-Backbone interact. energy: -0.012
local terms energy: -194.273877
where:
bonds (distance) C4'-P energy: -37.838
bonds (distance) P-C4' energy: -36.909
flat angles C4'-P-C4' energy: -37.992
flat angles P-C4'-P energy: -23.986
tors. eta vs tors. theta energy: -57.549
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: 6
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -514.524704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.524704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.524704 (E_RNA)
where:
Base-Base interactions energy: -341.594
where: short stacking energy: -168.305
Base-Backbone interact. energy: -0.721
local terms energy: -172.210457
where:
bonds (distance) C4'-P energy: -32.875
bonds (distance) P-C4' energy: -32.693
flat angles C4'-P-C4' energy: -36.918
flat angles P-C4'-P energy: -22.043
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: 3, replica: 10
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -483.110848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.110848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.110848 (E_RNA)
where:
Base-Base interactions energy: -303.660
where: short stacking energy: -157.135
Base-Backbone interact. energy: 0.325
local terms energy: -179.775477
where:
bonds (distance) C4'-P energy: -36.212
bonds (distance) P-C4' energy: -31.544
flat angles C4'-P-C4' energy: -38.008
flat angles P-C4'-P energy: -25.596
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: 4, replica: 9
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -465.828678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.828678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.828678 (E_RNA)
where:
Base-Base interactions energy: -298.240
where: short stacking energy: -154.073
Base-Backbone interact. energy: -0.162
local terms energy: -167.426311
where:
bonds (distance) C4'-P energy: -31.227
bonds (distance) P-C4' energy: -34.232
flat angles C4'-P-C4' energy: -33.704
flat angles P-C4'-P energy: -29.526
tors. eta vs tors. theta energy: -38.738
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: 4
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -436.331885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.331885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.331885 (E_RNA)
where:
Base-Base interactions energy: -291.261
where: short stacking energy: -139.021
Base-Backbone interact. energy: -0.802
local terms energy: -144.268729
where:
bonds (distance) C4'-P energy: -31.455
bonds (distance) P-C4' energy: -32.332
flat angles C4'-P-C4' energy: -31.762
flat angles P-C4'-P energy: -15.515
tors. eta vs tors. theta energy: -33.205
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: 2
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -370.319038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.319038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.319038 (E_RNA)
where:
Base-Base interactions energy: -231.437
where: short stacking energy: -112.317
Base-Backbone interact. energy: 0.412
local terms energy: -139.293785
where:
bonds (distance) C4'-P energy: -30.124
bonds (distance) P-C4' energy: -33.709
flat angles C4'-P-C4' energy: -33.923
flat angles P-C4'-P energy: -19.786
tors. eta vs tors. theta energy: -21.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -378.807617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.807617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.807617 (E_RNA)
where:
Base-Base interactions energy: -231.797
where: short stacking energy: -127.681
Base-Backbone interact. energy: -0.184
local terms energy: -146.826777
where:
bonds (distance) C4'-P energy: -28.892
bonds (distance) P-C4' energy: -34.620
flat angles C4'-P-C4' energy: -34.470
flat angles P-C4'-P energy: -15.248
tors. eta vs tors. theta energy: -33.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -313.044135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.044135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.044135 (E_RNA)
where:
Base-Base interactions energy: -187.839
where: short stacking energy: -93.899
Base-Backbone interact. energy: -0.218
local terms energy: -124.986265
where:
bonds (distance) C4'-P energy: -20.360
bonds (distance) P-C4' energy: -29.251
flat angles C4'-P-C4' energy: -32.392
flat angles P-C4'-P energy: -25.221
tors. eta vs tors. theta energy: -17.761
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: 9, replica: 3
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -233.262299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.262299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.262299 (E_RNA)
where:
Base-Base interactions energy: -122.127
where: short stacking energy: -64.208
Base-Backbone interact. energy: -0.241
local terms energy: -110.894177
where:
bonds (distance) C4'-P energy: -28.861
bonds (distance) P-C4' energy: -27.184
flat angles C4'-P-C4' energy: -24.240
flat angles P-C4'-P energy: -18.041
tors. eta vs tors. theta energy: -12.569
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: 7
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -246.066048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.066048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.066048 (E_RNA)
where:
Base-Base interactions energy: -133.941
where: short stacking energy: -73.934
Base-Backbone interact. energy: -0.819
local terms energy: -111.306121
where:
bonds (distance) C4'-P energy: -29.054
bonds (distance) P-C4' energy: -25.653
flat angles C4'-P-C4' energy: -25.858
flat angles P-C4'-P energy: -19.215
tors. eta vs tors. theta energy: -11.525
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: 5
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -581.347265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.347265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.347265 (E_RNA)
where:
Base-Base interactions energy: -378.993
where: short stacking energy: -190.015
Base-Backbone interact. energy: 0.196
local terms energy: -202.550365
where:
bonds (distance) C4'-P energy: -36.878
bonds (distance) P-C4' energy: -37.859
flat angles C4'-P-C4' energy: -43.257
flat angles P-C4'-P energy: -27.353
tors. eta vs tors. theta energy: -57.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -515.667219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.667219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.667219 (E_RNA)
where:
Base-Base interactions energy: -344.057
where: short stacking energy: -161.844
Base-Backbone interact. energy: -0.283
local terms energy: -171.327827
where:
bonds (distance) C4'-P energy: -35.728
bonds (distance) P-C4' energy: -30.173
flat angles C4'-P-C4' energy: -37.819
flat angles P-C4'-P energy: -23.489
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: 3, replica: 10
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -469.411014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.411014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.411014 (E_RNA)
where:
Base-Base interactions energy: -303.622
where: short stacking energy: -148.236
Base-Backbone interact. energy: -0.925
local terms energy: -164.863628
where:
bonds (distance) C4'-P energy: -37.641
bonds (distance) P-C4' energy: -39.130
flat angles C4'-P-C4' energy: -27.123
flat angles P-C4'-P energy: -18.402
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: 4, replica: 4
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -447.851650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.851650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.851650 (E_RNA)
where:
Base-Base interactions energy: -293.637
where: short stacking energy: -142.591
Base-Backbone interact. energy: -0.927
local terms energy: -153.288168
where:
bonds (distance) C4'-P energy: -25.310
bonds (distance) P-C4' energy: -36.252
flat angles C4'-P-C4' energy: -36.524
flat angles P-C4'-P energy: -19.292
tors. eta vs tors. theta energy: -35.910
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: 9
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -439.433769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.433769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.433769 (E_RNA)
where:
Base-Base interactions energy: -289.246
where: short stacking energy: -148.647
Base-Backbone interact. energy: -0.132
local terms energy: -150.055587
where:
bonds (distance) C4'-P energy: -32.867
bonds (distance) P-C4' energy: -31.185
flat angles C4'-P-C4' energy: -30.443
flat angles P-C4'-P energy: -19.502
tors. eta vs tors. theta energy: -36.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -342.030956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.030956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.030956 (E_RNA)
where:
Base-Base interactions energy: -217.353
where: short stacking energy: -105.858
Base-Backbone interact. energy: -1.304
local terms energy: -123.374645
where:
bonds (distance) C4'-P energy: -22.705
bonds (distance) P-C4' energy: -27.830
flat angles C4'-P-C4' energy: -28.136
flat angles P-C4'-P energy: -26.034
tors. eta vs tors. theta energy: -18.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -343.564617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.564617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.564617 (E_RNA)
where:
Base-Base interactions energy: -205.081
where: short stacking energy: -89.538
Base-Backbone interact. energy: 1.828
local terms energy: -140.311459
where:
bonds (distance) C4'-P energy: -31.106
bonds (distance) P-C4' energy: -38.108
flat angles C4'-P-C4' energy: -33.723
flat angles P-C4'-P energy: -23.513
tors. eta vs tors. theta energy: -13.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -333.616680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.616680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.616680 (E_RNA)
where:
Base-Base interactions energy: -209.785
where: short stacking energy: -98.647
Base-Backbone interact. energy: 0.961
local terms energy: -124.792810
where:
bonds (distance) C4'-P energy: -26.545
bonds (distance) P-C4' energy: -34.249
flat angles C4'-P-C4' energy: -32.469
flat angles P-C4'-P energy: -22.798
tors. eta vs tors. theta energy: -8.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -306.525554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.525554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.525554 (E_RNA)
where:
Base-Base interactions energy: -188.466
where: short stacking energy: -105.340
Base-Backbone interact. energy: 0.070
local terms energy: -118.129615
where:
bonds (distance) C4'-P energy: -20.370
bonds (distance) P-C4' energy: -30.649
flat angles C4'-P-C4' energy: -30.032
flat angles P-C4'-P energy: -12.466
tors. eta vs tors. theta energy: -24.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -227.277863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.277863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.277863 (E_RNA)
where:
Base-Base interactions energy: -115.231
where: short stacking energy: -60.944
Base-Backbone interact. energy: -0.475
local terms energy: -111.572041
where:
bonds (distance) C4'-P energy: -30.957
bonds (distance) P-C4' energy: -32.252
flat angles C4'-P-C4' energy: -25.685
flat angles P-C4'-P energy: -16.343
tors. eta vs tors. theta energy: -6.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -585.143844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.143844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.143844 (E_RNA)
where:
Base-Base interactions energy: -390.683
where: short stacking energy: -201.962
Base-Backbone interact. energy: -0.116
local terms energy: -194.345506
where:
bonds (distance) C4'-P energy: -33.554
bonds (distance) P-C4' energy: -31.868
flat angles C4'-P-C4' energy: -41.607
flat angles P-C4'-P energy: -28.190
tors. eta vs tors. theta energy: -59.128
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: 2, replica: 6
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -497.904918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.904918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.904918 (E_RNA)
where:
Base-Base interactions energy: -329.633
where: short stacking energy: -158.521
Base-Backbone interact. energy: -0.309
local terms energy: -167.962913
where:
bonds (distance) C4'-P energy: -37.929
bonds (distance) P-C4' energy: -27.344
flat angles C4'-P-C4' energy: -34.853
flat angles P-C4'-P energy: -28.091
tors. eta vs tors. theta energy: -39.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -487.322951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.322951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.322951 (E_RNA)
where:
Base-Base interactions energy: -307.701
where: short stacking energy: -159.714
Base-Backbone interact. energy: 1.117
local terms energy: -180.739458
where:
bonds (distance) C4'-P energy: -36.108
bonds (distance) P-C4' energy: -35.279
flat angles C4'-P-C4' energy: -33.540
flat angles P-C4'-P energy: -24.885
tors. eta vs tors. theta energy: -50.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -456.342432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.342432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.342432 (E_RNA)
where:
Base-Base interactions energy: -289.973
where: short stacking energy: -146.656
Base-Backbone interact. energy: -0.492
local terms energy: -165.877573
where:
bonds (distance) C4'-P energy: -34.784
bonds (distance) P-C4' energy: -39.045
flat angles C4'-P-C4' energy: -29.400
flat angles P-C4'-P energy: -22.079
tors. eta vs tors. theta energy: -40.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -435.208967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.208967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.208967 (E_RNA)
where:
Base-Base interactions energy: -275.164
where: short stacking energy: -145.411
Base-Backbone interact. energy: -0.181
local terms energy: -159.863461
where:
bonds (distance) C4'-P energy: -30.369
bonds (distance) P-C4' energy: -27.196
flat angles C4'-P-C4' energy: -30.443
flat angles P-C4'-P energy: -27.400
tors. eta vs tors. theta energy: -44.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -334.180306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.180306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.180306 (E_RNA)
where:
Base-Base interactions energy: -201.347
where: short stacking energy: -96.722
Base-Backbone interact. energy: -1.035
local terms energy: -131.797990
where:
bonds (distance) C4'-P energy: -29.272
bonds (distance) P-C4' energy: -30.407
flat angles C4'-P-C4' energy: -33.114
flat angles P-C4'-P energy: -20.638
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: 7, replica: 8
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -339.247063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.247063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.247063 (E_RNA)
where:
Base-Base interactions energy: -202.876
where: short stacking energy: -111.246
Base-Backbone interact. energy: -0.503
local terms energy: -135.867357
where:
bonds (distance) C4'-P energy: -35.392
bonds (distance) P-C4' energy: -31.765
flat angles C4'-P-C4' energy: -28.125
flat angles P-C4'-P energy: -16.855
tors. eta vs tors. theta energy: -23.731
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: 2
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -293.910540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.910540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.910540 (E_RNA)
where:
Base-Base interactions energy: -177.740
where: short stacking energy: -89.207
Base-Backbone interact. energy: -0.865
local terms energy: -115.305584
where:
bonds (distance) C4'-P energy: -33.768
bonds (distance) P-C4' energy: -28.935
flat angles C4'-P-C4' energy: -29.636
flat angles P-C4'-P energy: -8.607
tors. eta vs tors. theta energy: -14.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -274.928259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.928259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.928259 (E_RNA)
where:
Base-Base interactions energy: -143.524
where: short stacking energy: -67.289
Base-Backbone interact. energy: -0.520
local terms energy: -130.883772
where:
bonds (distance) C4'-P energy: -31.570
bonds (distance) P-C4' energy: -29.067
flat angles C4'-P-C4' energy: -35.315
flat angles P-C4'-P energy: -25.134
tors. eta vs tors. theta energy: -9.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -261.277145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.277145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.277145 (E_RNA)
where:
Base-Base interactions energy: -145.656
where: short stacking energy: -73.599
Base-Backbone interact. energy: 0.181
local terms energy: -115.802561
where:
bonds (distance) C4'-P energy: -26.240
bonds (distance) P-C4' energy: -27.839
flat angles C4'-P-C4' energy: -26.780
flat angles P-C4'-P energy: -24.644
tors. eta vs tors. theta energy: -10.300
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: 5
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -573.919343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.919343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.919343 (E_RNA)
where:
Base-Base interactions energy: -369.429
where: short stacking energy: -187.864
Base-Backbone interact. energy: -0.076
local terms energy: -204.414287
where:
bonds (distance) C4'-P energy: -36.420
bonds (distance) P-C4' energy: -41.767
flat angles C4'-P-C4' energy: -37.955
flat angles P-C4'-P energy: -30.637
tors. eta vs tors. theta energy: -57.636
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: 10
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -491.577772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.577772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.577772 (E_RNA)
where:
Base-Base interactions energy: -320.139
where: short stacking energy: -162.877
Base-Backbone interact. energy: -0.029
local terms energy: -171.409897
where:
bonds (distance) C4'-P energy: -32.212
bonds (distance) P-C4' energy: -36.955
flat angles C4'-P-C4' energy: -36.574
flat angles P-C4'-P energy: -22.373
tors. eta vs tors. theta energy: -43.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -505.984391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.984391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.984391 (E_RNA)
where:
Base-Base interactions energy: -340.669
where: short stacking energy: -164.812
Base-Backbone interact. energy: 0.185
local terms energy: -165.499812
where:
bonds (distance) C4'-P energy: -26.888
bonds (distance) P-C4' energy: -33.360
flat angles C4'-P-C4' energy: -32.797
flat angles P-C4'-P energy: -26.776
tors. eta vs tors. theta energy: -45.679
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: 431
Temperature: 1.050000
Total energy: -452.648998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.648998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.648998 (E_RNA)
where:
Base-Base interactions energy: -292.539
where: short stacking energy: -129.477
Base-Backbone interact. energy: -0.893
local terms energy: -159.216513
where:
bonds (distance) C4'-P energy: -34.779
bonds (distance) P-C4' energy: -33.815
flat angles C4'-P-C4' energy: -39.726
flat angles P-C4'-P energy: -21.624
tors. eta vs tors. theta energy: -29.273
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: 5, replica: 9
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -456.477835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.477835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.477835 (E_RNA)
where:
Base-Base interactions energy: -287.854
where: short stacking energy: -146.793
Base-Backbone interact. energy: 0.621
local terms energy: -169.244571
where:
bonds (distance) C4'-P energy: -34.981
bonds (distance) P-C4' energy: -34.517
flat angles C4'-P-C4' energy: -35.668
flat angles P-C4'-P energy: -23.701
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: 6, replica: 8
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -364.328860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.328860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.328860 (E_RNA)
where:
Base-Base interactions energy: -231.998
where: short stacking energy: -119.432
Base-Backbone interact. energy: -0.468
local terms energy: -131.862540
where:
bonds (distance) C4'-P energy: -22.151
bonds (distance) P-C4' energy: -31.427
flat angles C4'-P-C4' energy: -32.288
flat angles P-C4'-P energy: -24.554
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: 7, replica: 1
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -325.270331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.270331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.270331 (E_RNA)
where:
Base-Base interactions energy: -191.171
where: short stacking energy: -97.747
Base-Backbone interact. energy: 0.644
local terms energy: -134.743336
where:
bonds (distance) C4'-P energy: -32.454
bonds (distance) P-C4' energy: -28.234
flat angles C4'-P-C4' energy: -31.731
flat angles P-C4'-P energy: -22.520
tors. eta vs tors. theta energy: -19.804
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: 8, replica: 2
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -301.805840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.805840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.805840 (E_RNA)
where:
Base-Base interactions energy: -188.498
where: short stacking energy: -76.338
Base-Backbone interact. energy: -0.856
local terms energy: -112.451959
where:
bonds (distance) C4'-P energy: -28.069
bonds (distance) P-C4' energy: -32.693
flat angles C4'-P-C4' energy: -17.941
flat angles P-C4'-P energy: -21.552
tors. eta vs tors. theta energy: -12.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -300.242385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.242385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.242385 (E_RNA)
where:
Base-Base interactions energy: -172.531
where: short stacking energy: -90.687
Base-Backbone interact. energy: -0.274
local terms energy: -127.437179
where:
bonds (distance) C4'-P energy: -35.322
bonds (distance) P-C4' energy: -26.944
flat angles C4'-P-C4' energy: -31.738
flat angles P-C4'-P energy: -17.657
tors. eta vs tors. theta energy: -15.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -253.326672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.326672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.326672 (E_RNA)
where:
Base-Base interactions energy: -139.242
where: short stacking energy: -81.548
Base-Backbone interact. energy: -1.651
local terms energy: -112.432994
where:
bonds (distance) C4'-P energy: -28.866
bonds (distance) P-C4' energy: -37.987
flat angles C4'-P-C4' energy: -25.693
flat angles P-C4'-P energy: -12.769
tors. eta vs tors. theta energy: -7.119
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: 5
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -563.081756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.081756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.081756 (E_RNA)
where:
Base-Base interactions energy: -371.698
where: short stacking energy: -188.467
Base-Backbone interact. energy: -0.628
local terms energy: -190.755389
where:
bonds (distance) C4'-P energy: -31.056
bonds (distance) P-C4' energy: -39.717
flat angles C4'-P-C4' energy: -38.283
flat angles P-C4'-P energy: -25.977
tors. eta vs tors. theta energy: -55.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -491.546497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.546497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.546497 (E_RNA)
where:
Base-Base interactions energy: -317.996
where: short stacking energy: -169.113
Base-Backbone interact. energy: -0.051
local terms energy: -173.499558
where:
bonds (distance) C4'-P energy: -26.132
bonds (distance) P-C4' energy: -36.783
flat angles C4'-P-C4' energy: -39.876
flat angles P-C4'-P energy: -23.425
tors. eta vs tors. theta energy: -47.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -483.282991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.282991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.282991 (E_RNA)
where:
Base-Base interactions energy: -320.914
where: short stacking energy: -145.928
Base-Backbone interact. energy: 1.565
local terms energy: -163.934702
where:
bonds (distance) C4'-P energy: -38.394
bonds (distance) P-C4' energy: -33.415
flat angles C4'-P-C4' energy: -36.682
flat angles P-C4'-P energy: -22.574
tors. eta vs tors. theta energy: -32.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -495.372969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.372969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.372969 (E_RNA)
where:
Base-Base interactions energy: -341.781
where: short stacking energy: -141.165
Base-Backbone interact. energy: -0.608
local terms energy: -152.984336
where:
bonds (distance) C4'-P energy: -28.894
bonds (distance) P-C4' energy: -28.946
flat angles C4'-P-C4' energy: -35.182
flat angles P-C4'-P energy: -22.891
tors. eta vs tors. theta energy: -37.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -448.406893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.406893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.406893 (E_RNA)
where:
Base-Base interactions energy: -293.562
where: short stacking energy: -163.020
Base-Backbone interact. energy: -1.205
local terms energy: -153.639277
where:
bonds (distance) C4'-P energy: -23.432
bonds (distance) P-C4' energy: -26.016
flat angles C4'-P-C4' energy: -34.159
flat angles P-C4'-P energy: -23.513
tors. eta vs tors. theta energy: -46.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -347.245253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.245253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.245253 (E_RNA)
where:
Base-Base interactions energy: -219.144
where: short stacking energy: -108.938
Base-Backbone interact. energy: 0.776
local terms energy: -128.876787
where:
bonds (distance) C4'-P energy: -29.357
bonds (distance) P-C4' energy: -28.812
flat angles C4'-P-C4' energy: -31.918
flat angles P-C4'-P energy: -24.593
tors. eta vs tors. theta energy: -14.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -357.356228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.356228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.356228 (E_RNA)
where:
Base-Base interactions energy: -218.786
where: short stacking energy: -105.450
Base-Backbone interact. energy: -0.194
local terms energy: -138.376911
where:
bonds (distance) C4'-P energy: -33.240
bonds (distance) P-C4' energy: -36.665
flat angles C4'-P-C4' energy: -27.877
flat angles P-C4'-P energy: -19.403
tors. eta vs tors. theta energy: -21.193
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: 2
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -338.085968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.085968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.085968 (E_RNA)
where:
Base-Base interactions energy: -206.751
where: short stacking energy: -114.269
Base-Backbone interact. energy: 1.491
local terms energy: -132.825944
where:
bonds (distance) C4'-P energy: -21.074
bonds (distance) P-C4' energy: -31.802
flat angles C4'-P-C4' energy: -35.524
flat angles P-C4'-P energy: -16.465
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: 432
Temperature: 1.300000
Total energy: -260.649028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.649028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.649028 (E_RNA)
where:
Base-Base interactions energy: -150.131
where: short stacking energy: -71.448
Base-Backbone interact. energy: -1.214
local terms energy: -109.304291
where:
bonds (distance) C4'-P energy: -32.079
bonds (distance) P-C4' energy: -31.273
flat angles C4'-P-C4' energy: -30.196
flat angles P-C4'-P energy: -9.754
tors. eta vs tors. theta energy: -6.002
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: 3
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -300.826605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.826605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.826605 (E_RNA)
where:
Base-Base interactions energy: -175.523
where: short stacking energy: -84.252
Base-Backbone interact. energy: 0.464
local terms energy: -125.767248
where:
bonds (distance) C4'-P energy: -31.638
bonds (distance) P-C4' energy: -31.775
flat angles C4'-P-C4' energy: -34.520
flat angles P-C4'-P energy: -14.691
tors. eta vs tors. theta energy: -13.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -561.114026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.114026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.114026 (E_RNA)
where:
Base-Base interactions energy: -360.509
where: short stacking energy: -180.178
Base-Backbone interact. energy: -0.881
local terms energy: -199.723987
where:
bonds (distance) C4'-P energy: -32.950
bonds (distance) P-C4' energy: -37.816
flat angles C4'-P-C4' energy: -44.610
flat angles P-C4'-P energy: -26.732
tors. eta vs tors. theta energy: -57.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -490.617579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.617579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.617579 (E_RNA)
where:
Base-Base interactions energy: -319.672
where: short stacking energy: -165.729
Base-Backbone interact. energy: -0.474
local terms energy: -170.471571
where:
bonds (distance) C4'-P energy: -28.014
bonds (distance) P-C4' energy: -32.764
flat angles C4'-P-C4' energy: -41.532
flat angles P-C4'-P energy: -22.693
tors. eta vs tors. theta energy: -45.468
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: 4
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -466.065851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.065851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.065851 (E_RNA)
where:
Base-Base interactions energy: -307.010
where: short stacking energy: -127.009
Base-Backbone interact. energy: -0.750
local terms energy: -158.305726
where:
bonds (distance) C4'-P energy: -36.484
bonds (distance) P-C4' energy: -36.797
flat angles C4'-P-C4' energy: -35.332
flat angles P-C4'-P energy: -22.953
tors. eta vs tors. theta energy: -26.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -496.320002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.320002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.320002 (E_RNA)
where:
Base-Base interactions energy: -341.277
where: short stacking energy: -155.379
Base-Backbone interact. energy: -0.575
local terms energy: -154.467663
where:
bonds (distance) C4'-P energy: -32.696
bonds (distance) P-C4' energy: -29.016
flat angles C4'-P-C4' energy: -33.371
flat angles P-C4'-P energy: -20.614
tors. eta vs tors. theta energy: -38.770
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: 9
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -470.782384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.782384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.782384 (E_RNA)
where:
Base-Base interactions energy: -301.640
where: short stacking energy: -155.262
Base-Backbone interact. energy: -1.002
local terms energy: -168.140065
where:
bonds (distance) C4'-P energy: -28.783
bonds (distance) P-C4' energy: -30.292
flat angles C4'-P-C4' energy: -38.703
flat angles P-C4'-P energy: -24.485
tors. eta vs tors. theta energy: -45.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -365.717875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.717875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.717875 (E_RNA)
where:
Base-Base interactions energy: -229.496
where: short stacking energy: -124.772
Base-Backbone interact. energy: -0.161
local terms energy: -136.061391
where:
bonds (distance) C4'-P energy: -25.298
bonds (distance) P-C4' energy: -29.027
flat angles C4'-P-C4' energy: -28.103
flat angles P-C4'-P energy: -22.257
tors. eta vs tors. theta energy: -31.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -344.273929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.273929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.273929 (E_RNA)
where:
Base-Base interactions energy: -208.738
where: short stacking energy: -102.853
Base-Backbone interact. energy: -0.862
local terms energy: -134.674031
where:
bonds (distance) C4'-P energy: -39.437
bonds (distance) P-C4' energy: -32.591
flat angles C4'-P-C4' energy: -27.239
flat angles P-C4'-P energy: -18.522
tors. eta vs tors. theta energy: -16.885
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: 2
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -320.498784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.498784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.498784 (E_RNA)
where:
Base-Base interactions energy: -197.594
where: short stacking energy: -100.644
Base-Backbone interact. energy: -0.165
local terms energy: -122.739469
where:
bonds (distance) C4'-P energy: -23.886
bonds (distance) P-C4' energy: -28.766
flat angles C4'-P-C4' energy: -30.246
flat angles P-C4'-P energy: -18.916
tors. eta vs tors. theta energy: -20.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -259.312419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.312419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.312419 (E_RNA)
where:
Base-Base interactions energy: -154.197
where: short stacking energy: -79.899
Base-Backbone interact. energy: -0.211
local terms energy: -104.903982
where:
bonds (distance) C4'-P energy: -25.369
bonds (distance) P-C4' energy: -29.384
flat angles C4'-P-C4' energy: -24.882
flat angles P-C4'-P energy: -16.362
tors. eta vs tors. theta energy: -8.908
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: 433
Temperature: 1.350000
Total energy: -286.744113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.744113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.744113 (E_RNA)
where:
Base-Base interactions energy: -181.442
where: short stacking energy: -93.360
Base-Backbone interact. energy: -0.893
local terms energy: -104.409271
where:
bonds (distance) C4'-P energy: -23.660
bonds (distance) P-C4' energy: -30.469
flat angles C4'-P-C4' energy: -23.568
flat angles P-C4'-P energy: -14.412
tors. eta vs tors. theta energy: -12.300
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: 5
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -545.220763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.220763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.220763 (E_RNA)
where:
Base-Base interactions energy: -358.507
where: short stacking energy: -190.136
Base-Backbone interact. energy: -0.243
local terms energy: -186.470322
where:
bonds (distance) C4'-P energy: -37.991
bonds (distance) P-C4' energy: -35.539
flat angles C4'-P-C4' energy: -34.986
flat angles P-C4'-P energy: -28.617
tors. eta vs tors. theta energy: -49.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -494.083133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.083133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.083133 (E_RNA)
where:
Base-Base interactions energy: -316.190
where: short stacking energy: -161.641
Base-Backbone interact. energy: -0.383
local terms energy: -177.509841
where:
bonds (distance) C4'-P energy: -35.052
bonds (distance) P-C4' energy: -34.429
flat angles C4'-P-C4' energy: -33.667
flat angles P-C4'-P energy: -25.995
tors. eta vs tors. theta energy: -48.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -513.510169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.510169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.510169 (E_RNA)
where:
Base-Base interactions energy: -342.645
where: short stacking energy: -160.771
Base-Backbone interact. energy: -1.963
local terms energy: -168.902794
where:
bonds (distance) C4'-P energy: -28.660
bonds (distance) P-C4' energy: -36.265
flat angles C4'-P-C4' energy: -36.889
flat angles P-C4'-P energy: -20.904
tors. eta vs tors. theta energy: -46.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -466.251285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.251285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.251285 (E_RNA)
where:
Base-Base interactions energy: -318.655
where: short stacking energy: -139.305
Base-Backbone interact. energy: -0.595
local terms energy: -147.001432
where:
bonds (distance) C4'-P energy: -18.463
bonds (distance) P-C4' energy: -41.305
flat angles C4'-P-C4' energy: -31.870
flat angles P-C4'-P energy: -20.118
tors. eta vs tors. theta energy: -35.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -479.608416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.608416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.608416 (E_RNA)
where:
Base-Base interactions energy: -304.294
where: short stacking energy: -169.973
Base-Backbone interact. energy: 2.068
local terms energy: -177.383108
where:
bonds (distance) C4'-P energy: -35.883
bonds (distance) P-C4' energy: -34.765
flat angles C4'-P-C4' energy: -36.636
flat angles P-C4'-P energy: -22.959
tors. eta vs tors. theta energy: -47.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -329.951759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.951759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.951759 (E_RNA)
where:
Base-Base interactions energy: -191.790
where: short stacking energy: -93.794
Base-Backbone interact. energy: -1.387
local terms energy: -136.775423
where:
bonds (distance) C4'-P energy: -32.662
bonds (distance) P-C4' energy: -30.830
flat angles C4'-P-C4' energy: -28.102
flat angles P-C4'-P energy: -24.513
tors. eta vs tors. theta energy: -20.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -340.517324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.517324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.517324 (E_RNA)
where:
Base-Base interactions energy: -204.228
where: short stacking energy: -112.970
Base-Backbone interact. energy: -0.248
local terms energy: -136.041091
where:
bonds (distance) C4'-P energy: -29.976
bonds (distance) P-C4' energy: -32.521
flat angles C4'-P-C4' energy: -35.302
flat angles P-C4'-P energy: -17.455
tors. eta vs tors. theta energy: -20.787
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: 8
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -319.903326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.903326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.903326 (E_RNA)
where:
Base-Base interactions energy: -184.243
where: short stacking energy: -90.110
Base-Backbone interact. energy: -0.968
local terms energy: -134.692033
where:
bonds (distance) C4'-P energy: -35.407
bonds (distance) P-C4' energy: -33.161
flat angles C4'-P-C4' energy: -27.129
flat angles P-C4'-P energy: -18.676
tors. eta vs tors. theta energy: -20.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -298.699006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.699006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.699006 (E_RNA)
where:
Base-Base interactions energy: -188.962
where: short stacking energy: -89.821
Base-Backbone interact. energy: 0.375
local terms energy: -110.111580
where:
bonds (distance) C4'-P energy: -16.070
bonds (distance) P-C4' energy: -33.607
flat angles C4'-P-C4' energy: -27.155
flat angles P-C4'-P energy: -19.068
tors. eta vs tors. theta energy: -14.212
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: 7
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -257.453413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.453413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.453413 (E_RNA)
where:
Base-Base interactions energy: -135.152
where: short stacking energy: -70.091
Base-Backbone interact. energy: -1.139
local terms energy: -121.162694
where:
bonds (distance) C4'-P energy: -27.103
bonds (distance) P-C4' energy: -38.569
flat angles C4'-P-C4' energy: -30.060
flat angles P-C4'-P energy: -19.065
tors. eta vs tors. theta energy: -6.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -553.274557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.274557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.274557 (E_RNA)
where:
Base-Base interactions energy: -375.358
where: short stacking energy: -177.405
Base-Backbone interact. energy: -0.257
local terms energy: -177.658999
where:
bonds (distance) C4'-P energy: -29.218
bonds (distance) P-C4' energy: -33.940
flat angles C4'-P-C4' energy: -39.132
flat angles P-C4'-P energy: -25.494
tors. eta vs tors. theta energy: -49.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -501.486768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.486768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.486768 (E_RNA)
where:
Base-Base interactions energy: -320.727
where: short stacking energy: -162.945
Base-Backbone interact. energy: -0.066
local terms energy: -180.693960
where:
bonds (distance) C4'-P energy: -34.406
bonds (distance) P-C4' energy: -37.418
flat angles C4'-P-C4' energy: -37.162
flat angles P-C4'-P energy: -24.302
tors. eta vs tors. theta energy: -47.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -501.792638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.792638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.792638 (E_RNA)
where:
Base-Base interactions energy: -329.659
where: short stacking energy: -156.292
Base-Backbone interact. energy: -0.244
local terms energy: -171.889861
where:
bonds (distance) C4'-P energy: -38.786
bonds (distance) P-C4' energy: -36.310
flat angles C4'-P-C4' energy: -37.423
flat angles P-C4'-P energy: -21.341
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: 4, replica: 9
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -440.905770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.905770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.905770 (E_RNA)
where:
Base-Base interactions energy: -285.740
where: short stacking energy: -151.735
Base-Backbone interact. energy: -0.155
local terms energy: -155.011492
where:
bonds (distance) C4'-P energy: -24.954
bonds (distance) P-C4' energy: -30.089
flat angles C4'-P-C4' energy: -36.602
flat angles P-C4'-P energy: -23.663
tors. eta vs tors. theta energy: -39.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -467.385566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.385566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.385566 (E_RNA)
where:
Base-Base interactions energy: -312.108
where: short stacking energy: -146.231
Base-Backbone interact. energy: -0.332
local terms energy: -154.945657
where:
bonds (distance) C4'-P energy: -33.508
bonds (distance) P-C4' energy: -27.753
flat angles C4'-P-C4' energy: -36.327
flat angles P-C4'-P energy: -19.950
tors. eta vs tors. theta energy: -37.407
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: 2
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -387.493473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.493473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.493473 (E_RNA)
where:
Base-Base interactions energy: -238.430
where: short stacking energy: -134.025
Base-Backbone interact. energy: 0.385
local terms energy: -149.447926
where:
bonds (distance) C4'-P energy: -28.880
bonds (distance) P-C4' energy: -35.723
flat angles C4'-P-C4' energy: -31.458
flat angles P-C4'-P energy: -24.068
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: 7, replica: 1
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -358.950837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.950837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.950837 (E_RNA)
where:
Base-Base interactions energy: -220.187
where: short stacking energy: -114.169
Base-Backbone interact. energy: -0.180
local terms energy: -138.583674
where:
bonds (distance) C4'-P energy: -33.716
bonds (distance) P-C4' energy: -38.526
flat angles C4'-P-C4' energy: -27.461
flat angles P-C4'-P energy: -19.951
tors. eta vs tors. theta energy: -18.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -328.200101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.200101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.200101 (E_RNA)
where:
Base-Base interactions energy: -201.795
where: short stacking energy: -111.985
Base-Backbone interact. energy: 1.078
local terms energy: -127.483151
where:
bonds (distance) C4'-P energy: -32.188
bonds (distance) P-C4' energy: -25.747
flat angles C4'-P-C4' energy: -36.939
flat angles P-C4'-P energy: -14.867
tors. eta vs tors. theta energy: -17.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -321.172123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.172123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.172123 (E_RNA)
where:
Base-Base interactions energy: -208.776
where: short stacking energy: -96.814
Base-Backbone interact. energy: 0.295
local terms energy: -112.690438
where:
bonds (distance) C4'-P energy: -26.696
bonds (distance) P-C4' energy: -33.971
flat angles C4'-P-C4' energy: -23.706
flat angles P-C4'-P energy: -14.302
tors. eta vs tors. theta energy: -14.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -218.269854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.269854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.269854 (E_RNA)
where:
Base-Base interactions energy: -103.105
where: short stacking energy: -64.549
Base-Backbone interact. energy: 0.265
local terms energy: -115.429773
where:
bonds (distance) C4'-P energy: -26.685
bonds (distance) P-C4' energy: -26.937
flat angles C4'-P-C4' energy: -32.699
flat angles P-C4'-P energy: -16.583
tors. eta vs tors. theta energy: -12.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -552.140363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.140363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.140363 (E_RNA)
where:
Base-Base interactions energy: -375.064
where: short stacking energy: -171.233
Base-Backbone interact. energy: -0.600
local terms energy: -176.476825
where:
bonds (distance) C4'-P energy: -36.497
bonds (distance) P-C4' energy: -37.383
flat angles C4'-P-C4' energy: -36.422
flat angles P-C4'-P energy: -19.804
tors. eta vs tors. theta energy: -46.371
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: 10
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -500.656367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.656367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.656367 (E_RNA)
where:
Base-Base interactions energy: -325.784
where: short stacking energy: -181.424
Base-Backbone interact. energy: -0.017
local terms energy: -174.854742
where:
bonds (distance) C4'-P energy: -30.456
bonds (distance) P-C4' energy: -31.928
flat angles C4'-P-C4' energy: -37.937
flat angles P-C4'-P energy: -22.548
tors. eta vs tors. theta energy: -51.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -511.985694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.985694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.985694 (E_RNA)
where:
Base-Base interactions energy: -360.366
where: short stacking energy: -156.485
Base-Backbone interact. energy: -0.002
local terms energy: -151.617680
where:
bonds (distance) C4'-P energy: -33.692
bonds (distance) P-C4' energy: -27.328
flat angles C4'-P-C4' energy: -32.366
flat angles P-C4'-P energy: -22.037
tors. eta vs tors. theta energy: -36.195
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: 9
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -452.013136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.013136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.013136 (E_RNA)
where:
Base-Base interactions energy: -276.937
where: short stacking energy: -146.536
Base-Backbone interact. energy: -0.381
local terms energy: -174.695145
where:
bonds (distance) C4'-P energy: -34.317
bonds (distance) P-C4' energy: -35.456
flat angles C4'-P-C4' energy: -36.692
flat angles P-C4'-P energy: -29.066
tors. eta vs tors. theta energy: -39.163
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: 4
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -447.610645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.610645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.610645 (E_RNA)
where:
Base-Base interactions energy: -287.903
where: short stacking energy: -126.797
Base-Backbone interact. energy: 2.480
local terms energy: -162.188192
where:
bonds (distance) C4'-P energy: -35.817
bonds (distance) P-C4' energy: -34.632
flat angles C4'-P-C4' energy: -43.421
flat angles P-C4'-P energy: -20.505
tors. eta vs tors. theta energy: -27.814
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: 2
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -367.829454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.829454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.829454 (E_RNA)
where:
Base-Base interactions energy: -211.073
where: short stacking energy: -113.114
Base-Backbone interact. energy: -0.393
local terms energy: -156.362975
where:
bonds (distance) C4'-P energy: -34.576
bonds (distance) P-C4' energy: -38.427
flat angles C4'-P-C4' energy: -33.501
flat angles P-C4'-P energy: -23.331
tors. eta vs tors. theta energy: -26.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -348.818352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.818352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.818352 (E_RNA)
where:
Base-Base interactions energy: -205.119
where: short stacking energy: -116.875
Base-Backbone interact. energy: -0.457
local terms energy: -143.242310
where:
bonds (distance) C4'-P energy: -31.471
bonds (distance) P-C4' energy: -27.225
flat angles C4'-P-C4' energy: -33.838
flat angles P-C4'-P energy: -19.742
tors. eta vs tors. theta energy: -30.967
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: 1
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -337.058865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.058865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.058865 (E_RNA)
where:
Base-Base interactions energy: -205.065
where: short stacking energy: -107.695
Base-Backbone interact. energy: -0.533
local terms energy: -131.460684
where:
bonds (distance) C4'-P energy: -22.237
bonds (distance) P-C4' energy: -34.517
flat angles C4'-P-C4' energy: -30.271
flat angles P-C4'-P energy: -17.261
tors. eta vs tors. theta energy: -27.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -330.461197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.461197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.461197 (E_RNA)
where:
Base-Base interactions energy: -198.976
where: short stacking energy: -100.888
Base-Backbone interact. energy: -0.425
local terms energy: -131.060212
where:
bonds (distance) C4'-P energy: -20.899
bonds (distance) P-C4' energy: -37.709
flat angles C4'-P-C4' energy: -24.358
flat angles P-C4'-P energy: -24.733
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: 7
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -241.531854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.531854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.531854 (E_RNA)
where:
Base-Base interactions energy: -128.520
where: short stacking energy: -72.823
Base-Backbone interact. energy: 0.540
local terms energy: -113.551850
where:
bonds (distance) C4'-P energy: -33.247
bonds (distance) P-C4' energy: -32.353
flat angles C4'-P-C4' energy: -25.968
flat angles P-C4'-P energy: -15.703
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: 5
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -552.571735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.571735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.571735 (E_RNA)
where:
Base-Base interactions energy: -373.334
where: short stacking energy: -172.516
Base-Backbone interact. energy: -0.286
local terms energy: -178.951770
where:
bonds (distance) C4'-P energy: -36.666
bonds (distance) P-C4' energy: -34.742
flat angles C4'-P-C4' energy: -35.912
flat angles P-C4'-P energy: -26.939
tors. eta vs tors. theta energy: -44.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -521.224751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.224751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.224751 (E_RNA)
where:
Base-Base interactions energy: -357.997
where: short stacking energy: -148.495
Base-Backbone interact. energy: -0.969
local terms energy: -162.258831
where:
bonds (distance) C4'-P energy: -29.823
bonds (distance) P-C4' energy: -42.412
flat angles C4'-P-C4' energy: -32.744
flat angles P-C4'-P energy: -23.022
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: 3, replica: 10
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -485.608377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.608377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.608377 (E_RNA)
where:
Base-Base interactions energy: -310.504
where: short stacking energy: -163.729
Base-Backbone interact. energy: 0.196
local terms energy: -175.300344
where:
bonds (distance) C4'-P energy: -34.507
bonds (distance) P-C4' energy: -31.935
flat angles C4'-P-C4' energy: -35.224
flat angles P-C4'-P energy: -26.665
tors. eta vs tors. theta energy: -46.969
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: 4
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -461.025764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.025764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.025764 (E_RNA)
where:
Base-Base interactions energy: -311.198
where: short stacking energy: -142.803
Base-Backbone interact. energy: 0.668
local terms energy: -150.496105
where:
bonds (distance) C4'-P energy: -24.120
bonds (distance) P-C4' energy: -34.809
flat angles C4'-P-C4' energy: -31.312
flat angles P-C4'-P energy: -24.240
tors. eta vs tors. theta energy: -36.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -430.084896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.084896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.084896 (E_RNA)
where:
Base-Base interactions energy: -278.605
where: short stacking energy: -135.019
Base-Backbone interact. energy: -0.261
local terms energy: -151.219485
where:
bonds (distance) C4'-P energy: -26.154
bonds (distance) P-C4' energy: -38.194
flat angles C4'-P-C4' energy: -34.615
flat angles P-C4'-P energy: -20.605
tors. eta vs tors. theta energy: -31.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -351.840897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.840897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.840897 (E_RNA)
where:
Base-Base interactions energy: -215.676
where: short stacking energy: -111.830
Base-Backbone interact. energy: 0.256
local terms energy: -136.420899
where:
bonds (distance) C4'-P energy: -27.956
bonds (distance) P-C4' energy: -33.342
flat angles C4'-P-C4' energy: -34.254
flat angles P-C4'-P energy: -19.427
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: 7, replica: 2
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -344.591117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.591117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.591117 (E_RNA)
where:
Base-Base interactions energy: -204.858
where: short stacking energy: -111.321
Base-Backbone interact. energy: -0.717
local terms energy: -139.015775
where:
bonds (distance) C4'-P energy: -32.313
bonds (distance) P-C4' energy: -28.044
flat angles C4'-P-C4' energy: -31.320
flat angles P-C4'-P energy: -18.273
tors. eta vs tors. theta energy: -29.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -316.324696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.324696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.324696 (E_RNA)
where:
Base-Base interactions energy: -204.729
where: short stacking energy: -77.053
Base-Backbone interact. energy: -0.276
local terms energy: -111.319456
where:
bonds (distance) C4'-P energy: -15.069
bonds (distance) P-C4' energy: -36.271
flat angles C4'-P-C4' energy: -25.406
flat angles P-C4'-P energy: -16.649
tors. eta vs tors. theta energy: -17.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -317.322127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.322127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.322127 (E_RNA)
where:
Base-Base interactions energy: -200.686
where: short stacking energy: -92.584
Base-Backbone interact. energy: 0.481
local terms energy: -117.117225
where:
bonds (distance) C4'-P energy: -29.407
bonds (distance) P-C4' energy: -26.568
flat angles C4'-P-C4' energy: -28.444
flat angles P-C4'-P energy: -14.633
tors. eta vs tors. theta energy: -18.066
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: 7
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -229.552409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.552409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.552409 (E_RNA)
where:
Base-Base interactions energy: -127.276
where: short stacking energy: -70.646
Base-Backbone interact. energy: -0.434
local terms energy: -101.842259
where:
bonds (distance) C4'-P energy: -25.766
bonds (distance) P-C4' energy: -27.504
flat angles C4'-P-C4' energy: -22.741
flat angles P-C4'-P energy: -20.165
tors. eta vs tors. theta energy: -5.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -555.964225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.964225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.964225 (E_RNA)
where:
Base-Base interactions energy: -358.523
where: short stacking energy: -185.964
Base-Backbone interact. energy: -0.140
local terms energy: -197.301717
where:
bonds (distance) C4'-P energy: -35.400
bonds (distance) P-C4' energy: -35.834
flat angles C4'-P-C4' energy: -41.932
flat angles P-C4'-P energy: -26.626
tors. eta vs tors. theta energy: -57.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -512.369805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.369805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.369805 (E_RNA)
where:
Base-Base interactions energy: -347.946
where: short stacking energy: -143.696
Base-Backbone interact. energy: 1.177
local terms energy: -165.600674
where:
bonds (distance) C4'-P energy: -33.899
bonds (distance) P-C4' energy: -30.013
flat angles C4'-P-C4' energy: -39.964
flat angles P-C4'-P energy: -25.633
tors. eta vs tors. theta energy: -36.091
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: 4
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -479.160325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.160325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.160325 (E_RNA)
where:
Base-Base interactions energy: -315.412
where: short stacking energy: -155.197
Base-Backbone interact. energy: -0.168
local terms energy: -163.580175
where:
bonds (distance) C4'-P energy: -31.794
bonds (distance) P-C4' energy: -32.494
flat angles C4'-P-C4' energy: -35.806
flat angles P-C4'-P energy: -22.869
tors. eta vs tors. theta energy: -40.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -481.941638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.941638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.941638 (E_RNA)
where:
Base-Base interactions energy: -306.595
where: short stacking energy: -166.702
Base-Backbone interact. energy: -0.545
local terms energy: -174.802123
where:
bonds (distance) C4'-P energy: -33.832
bonds (distance) P-C4' energy: -33.246
flat angles C4'-P-C4' energy: -34.359
flat angles P-C4'-P energy: -25.135
tors. eta vs tors. theta energy: -48.231
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: 9
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -433.520717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.520717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.520717 (E_RNA)
where:
Base-Base interactions energy: -281.001
where: short stacking energy: -146.130
Base-Backbone interact. energy: 0.551
local terms energy: -153.070875
where:
bonds (distance) C4'-P energy: -32.913
bonds (distance) P-C4' energy: -33.229
flat angles C4'-P-C4' energy: -30.597
flat angles P-C4'-P energy: -25.127
tors. eta vs tors. theta energy: -31.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -360.771408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.771408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.771408 (E_RNA)
where:
Base-Base interactions energy: -226.648
where: short stacking energy: -111.081
Base-Backbone interact. energy: -0.459
local terms energy: -133.664405
where:
bonds (distance) C4'-P energy: -30.884
bonds (distance) P-C4' energy: -30.799
flat angles C4'-P-C4' energy: -28.747
flat angles P-C4'-P energy: -22.380
tors. eta vs tors. theta energy: -20.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -348.792608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.792608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.792608 (E_RNA)
where:
Base-Base interactions energy: -199.179
where: short stacking energy: -111.402
Base-Backbone interact. energy: -0.459
local terms energy: -149.154618
where:
bonds (distance) C4'-P energy: -33.501
bonds (distance) P-C4' energy: -36.113
flat angles C4'-P-C4' energy: -29.477
flat angles P-C4'-P energy: -21.629
tors. eta vs tors. theta energy: -28.436
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: 8
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -310.515814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.515814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.515814 (E_RNA)
where:
Base-Base interactions energy: -192.438
where: short stacking energy: -89.316
Base-Backbone interact. energy: -0.335
local terms energy: -117.742798
where:
bonds (distance) C4'-P energy: -32.995
bonds (distance) P-C4' energy: -31.240
flat angles C4'-P-C4' energy: -24.735
flat angles P-C4'-P energy: -14.108
tors. eta vs tors. theta energy: -14.664
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: 1
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -322.449109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.449109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.449109 (E_RNA)
where:
Base-Base interactions energy: -184.558
where: short stacking energy: -90.508
Base-Backbone interact. energy: -0.939
local terms energy: -136.952424
where:
bonds (distance) C4'-P energy: -35.582
bonds (distance) P-C4' energy: -38.682
flat angles C4'-P-C4' energy: -29.531
flat angles P-C4'-P energy: -23.843
tors. eta vs tors. theta energy: -9.314
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: 7
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -224.711218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.711218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.711218 (E_RNA)
where:
Base-Base interactions energy: -127.645
where: short stacking energy: -56.281
Base-Backbone interact. energy: -0.061
local terms energy: -97.005657
where:
bonds (distance) C4'-P energy: -21.320
bonds (distance) P-C4' energy: -37.410
flat angles C4'-P-C4' energy: -20.178
flat angles P-C4'-P energy: -18.840
tors. eta vs tors. theta energy: 0.742
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: 5
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -549.392695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.392695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.392695 (E_RNA)
where:
Base-Base interactions energy: -361.851
where: short stacking energy: -187.750
Base-Backbone interact. energy: -0.147
local terms energy: -187.394909
where:
bonds (distance) C4'-P energy: -32.228
bonds (distance) P-C4' energy: -37.256
flat angles C4'-P-C4' energy: -40.542
flat angles P-C4'-P energy: -22.241
tors. eta vs tors. theta energy: -55.128
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: 2, replica: 6
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -518.144341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.144341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.144341 (E_RNA)
where:
Base-Base interactions energy: -355.659
where: short stacking energy: -155.426
Base-Backbone interact. energy: -1.185
local terms energy: -161.300070
where:
bonds (distance) C4'-P energy: -33.428
bonds (distance) P-C4' energy: -37.217
flat angles C4'-P-C4' energy: -32.178
flat angles P-C4'-P energy: -17.870
tors. eta vs tors. theta energy: -40.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -496.650622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.650622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.650622 (E_RNA)
where:
Base-Base interactions energy: -323.045
where: short stacking energy: -159.863
Base-Backbone interact. energy: -1.313
local terms energy: -172.292838
where:
bonds (distance) C4'-P energy: -32.388
bonds (distance) P-C4' energy: -30.547
flat angles C4'-P-C4' energy: -40.319
flat angles P-C4'-P energy: -24.652
tors. eta vs tors. theta energy: -44.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -445.647025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.647025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.647025 (E_RNA)
where:
Base-Base interactions energy: -294.289
where: short stacking energy: -152.039
Base-Backbone interact. energy: 1.900
local terms energy: -153.258229
where:
bonds (distance) C4'-P energy: -40.583
bonds (distance) P-C4' energy: -30.296
flat angles C4'-P-C4' energy: -33.207
flat angles P-C4'-P energy: -11.213
tors. eta vs tors. theta energy: -37.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -400.390497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.390497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.390497 (E_RNA)
where:
Base-Base interactions energy: -261.692
where: short stacking energy: -123.324
Base-Backbone interact. energy: 1.403
local terms energy: -140.101808
where:
bonds (distance) C4'-P energy: -32.912
bonds (distance) P-C4' energy: -36.726
flat angles C4'-P-C4' energy: -32.281
flat angles P-C4'-P energy: -7.848
tors. eta vs tors. theta energy: -30.335
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: 2
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -353.508134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.508134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.508134 (E_RNA)
where:
Base-Base interactions energy: -202.926
where: short stacking energy: -114.613
Base-Backbone interact. energy: -0.652
local terms energy: -149.930442
where:
bonds (distance) C4'-P energy: -29.413
bonds (distance) P-C4' energy: -38.738
flat angles C4'-P-C4' energy: -34.873
flat angles P-C4'-P energy: -21.074
tors. eta vs tors. theta energy: -25.833
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: 3
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -337.108134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.108134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.108134 (E_RNA)
where:
Base-Base interactions energy: -214.001
where: short stacking energy: -112.073
Base-Backbone interact. energy: -0.374
local terms energy: -122.733809
where:
bonds (distance) C4'-P energy: -27.662
bonds (distance) P-C4' energy: -27.738
flat angles C4'-P-C4' energy: -29.459
flat angles P-C4'-P energy: -21.046
tors. eta vs tors. theta energy: -16.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -307.439643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.439643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.439643 (E_RNA)
where:
Base-Base interactions energy: -194.333
where: short stacking energy: -101.198
Base-Backbone interact. energy: 2.580
local terms energy: -115.686880
where:
bonds (distance) C4'-P energy: -24.090
bonds (distance) P-C4' energy: -23.028
flat angles C4'-P-C4' energy: -30.161
flat angles P-C4'-P energy: -22.000
tors. eta vs tors. theta energy: -16.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -299.510908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.510908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.510908 (E_RNA)
where:
Base-Base interactions energy: -182.623
where: short stacking energy: -71.565
Base-Backbone interact. energy: 2.386
local terms energy: -119.273750
where:
bonds (distance) C4'-P energy: -30.511
bonds (distance) P-C4' energy: -32.202
flat angles C4'-P-C4' energy: -24.315
flat angles P-C4'-P energy: -24.497
tors. eta vs tors. theta energy: -7.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -219.595018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.595018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.595018 (E_RNA)
where:
Base-Base interactions energy: -118.764
where: short stacking energy: -67.653
Base-Backbone interact. energy: -0.824
local terms energy: -100.006999
where:
bonds (distance) C4'-P energy: -25.755
bonds (distance) P-C4' energy: -31.902
flat angles C4'-P-C4' energy: -20.126
flat angles P-C4'-P energy: -18.464
tors. eta vs tors. theta energy: -3.760
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: 1, replica: 5
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -548.171576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.171576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.171576 (E_RNA)
where:
Base-Base interactions energy: -368.583
where: short stacking energy: -193.634
Base-Backbone interact. energy: 0.824
local terms energy: -180.412881
where:
bonds (distance) C4'-P energy: -36.076
bonds (distance) P-C4' energy: -37.087
flat angles C4'-P-C4' energy: -30.846
flat angles P-C4'-P energy: -23.374
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: 6
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -503.184387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.184387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.184387 (E_RNA)
where:
Base-Base interactions energy: -345.650
where: short stacking energy: -142.050
Base-Backbone interact. energy: -0.824
local terms energy: -156.709925
where:
bonds (distance) C4'-P energy: -34.891
bonds (distance) P-C4' energy: -24.509
flat angles C4'-P-C4' energy: -39.799
flat angles P-C4'-P energy: -25.312
tors. eta vs tors. theta energy: -32.198
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: 9
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -477.442656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.442656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.442656 (E_RNA)
where:
Base-Base interactions energy: -303.087
where: short stacking energy: -158.681
Base-Backbone interact. energy: -0.440
local terms energy: -173.915111
where:
bonds (distance) C4'-P energy: -31.367
bonds (distance) P-C4' energy: -39.827
flat angles C4'-P-C4' energy: -34.672
flat angles P-C4'-P energy: -22.838
tors. eta vs tors. theta energy: -45.210
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: 4, replica: 4
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -459.838052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.838052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.838052 (E_RNA)
where:
Base-Base interactions energy: -297.303
where: short stacking energy: -142.668
Base-Backbone interact. energy: -0.760
local terms energy: -161.775835
where:
bonds (distance) C4'-P energy: -34.233
bonds (distance) P-C4' energy: -29.942
flat angles C4'-P-C4' energy: -38.069
flat angles P-C4'-P energy: -24.775
tors. eta vs tors. theta energy: -34.757
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: 5, replica: 2
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -381.004503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.004503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.004503 (E_RNA)
where:
Base-Base interactions energy: -240.827
where: short stacking energy: -119.478
Base-Backbone interact. energy: -0.260
local terms energy: -139.916699
where:
bonds (distance) C4'-P energy: -28.850
bonds (distance) P-C4' energy: -34.277
flat angles C4'-P-C4' energy: -35.067
flat angles P-C4'-P energy: -20.419
tors. eta vs tors. theta energy: -21.304
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: 6, replica: 10
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -429.196552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.196552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.196552 (E_RNA)
where:
Base-Base interactions energy: -267.752
where: short stacking energy: -130.492
Base-Backbone interact. energy: -0.218
local terms energy: -161.226915
where:
bonds (distance) C4'-P energy: -30.414
bonds (distance) P-C4' energy: -34.412
flat angles C4'-P-C4' energy: -35.997
flat angles P-C4'-P energy: -21.049
tors. eta vs tors. theta energy: -39.355
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: 7, replica: 8
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -347.043664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.043664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.043664 (E_RNA)
where:
Base-Base interactions energy: -215.208
where: short stacking energy: -97.781
Base-Backbone interact. energy: 1.141
local terms energy: -132.977071
where:
bonds (distance) C4'-P energy: -31.948
bonds (distance) P-C4' energy: -34.532
flat angles C4'-P-C4' energy: -31.207
flat angles P-C4'-P energy: -23.065
tors. eta vs tors. theta energy: -12.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -315.651482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.651482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.651482 (E_RNA)
where:
Base-Base interactions energy: -197.159
where: short stacking energy: -105.673
Base-Backbone interact. energy: 2.554
local terms energy: -121.046619
where:
bonds (distance) C4'-P energy: -23.697
bonds (distance) P-C4' energy: -36.784
flat angles C4'-P-C4' energy: -30.036
flat angles P-C4'-P energy: -19.567
tors. eta vs tors. theta energy: -10.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -326.601541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.601541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.601541 (E_RNA)
where:
Base-Base interactions energy: -200.975
where: short stacking energy: -92.729
Base-Backbone interact. energy: -0.975
local terms energy: -124.651705
where:
bonds (distance) C4'-P energy: -33.330
bonds (distance) P-C4' energy: -22.663
flat angles C4'-P-C4' energy: -22.229
flat angles P-C4'-P energy: -23.423
tors. eta vs tors. theta energy: -23.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -227.857167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.857167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.857167 (E_RNA)
where:
Base-Base interactions energy: -115.277
where: short stacking energy: -67.688
Base-Backbone interact. energy: -0.384
local terms energy: -112.196259
where:
bonds (distance) C4'-P energy: -25.023
bonds (distance) P-C4' energy: -34.487
flat angles C4'-P-C4' energy: -26.481
flat angles P-C4'-P energy: -13.411
tors. eta vs tors. theta energy: -12.794
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: 5
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -549.844423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.844423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.844423 (E_RNA)
where:
Base-Base interactions energy: -362.029
where: short stacking energy: -182.694
Base-Backbone interact. energy: -0.107
local terms energy: -187.708358
where:
bonds (distance) C4'-P energy: -29.871
bonds (distance) P-C4' energy: -33.723
flat angles C4'-P-C4' energy: -40.954
flat angles P-C4'-P energy: -28.399
tors. eta vs tors. theta energy: -54.761
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: 2, replica: 6
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -527.114997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.114997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.114997 (E_RNA)
where:
Base-Base interactions energy: -371.970
where: short stacking energy: -153.493
Base-Backbone interact. energy: -0.946
local terms energy: -154.199230
where:
bonds (distance) C4'-P energy: -29.124
bonds (distance) P-C4' energy: -34.014
flat angles C4'-P-C4' energy: -34.703
flat angles P-C4'-P energy: -23.338
tors. eta vs tors. theta energy: -33.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -485.150460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.150460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.150460 (E_RNA)
where:
Base-Base interactions energy: -318.012
where: short stacking energy: -160.151
Base-Backbone interact. energy: -0.354
local terms energy: -166.784890
where:
bonds (distance) C4'-P energy: -30.516
bonds (distance) P-C4' energy: -34.340
flat angles C4'-P-C4' energy: -37.611
flat angles P-C4'-P energy: -21.630
tors. eta vs tors. theta energy: -42.688
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: 4
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -456.537182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.537182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.537182 (E_RNA)
where:
Base-Base interactions energy: -311.158
where: short stacking energy: -134.839
Base-Backbone interact. energy: -1.274
local terms energy: -144.104838
where:
bonds (distance) C4'-P energy: -31.094
bonds (distance) P-C4' energy: -34.906
flat angles C4'-P-C4' energy: -34.352
flat angles P-C4'-P energy: -20.985
tors. eta vs tors. theta energy: -22.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -356.079418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.079418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.079418 (E_RNA)
where:
Base-Base interactions energy: -218.101
where: short stacking energy: -110.126
Base-Backbone interact. energy: -0.174
local terms energy: -137.804026
where:
bonds (distance) C4'-P energy: -33.476
bonds (distance) P-C4' energy: -34.749
flat angles C4'-P-C4' energy: -31.119
flat angles P-C4'-P energy: -17.329
tors. eta vs tors. theta energy: -21.131
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: 6, replica: 8
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -351.274640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.274640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.274640 (E_RNA)
where:
Base-Base interactions energy: -213.412
where: short stacking energy: -103.873
Base-Backbone interact. energy: -1.117
local terms energy: -136.746352
where:
bonds (distance) C4'-P energy: -29.692
bonds (distance) P-C4' energy: -39.536
flat angles C4'-P-C4' energy: -31.616
flat angles P-C4'-P energy: -13.982
tors. eta vs tors. theta energy: -21.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -411.131838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.131838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.131838 (E_RNA)
where:
Base-Base interactions energy: -262.637
where: short stacking energy: -118.720
Base-Backbone interact. energy: -1.294
local terms energy: -147.200385
where:
bonds (distance) C4'-P energy: -24.226
bonds (distance) P-C4' energy: -34.440
flat angles C4'-P-C4' energy: -36.137
flat angles P-C4'-P energy: -16.414
tors. eta vs tors. theta energy: -35.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -322.718366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.718366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.718366 (E_RNA)
where:
Base-Base interactions energy: -192.311
where: short stacking energy: -96.613
Base-Backbone interact. energy: -1.374
local terms energy: -129.033246
where:
bonds (distance) C4'-P energy: -25.506
bonds (distance) P-C4' energy: -33.226
flat angles C4'-P-C4' energy: -31.198
flat angles P-C4'-P energy: -18.193
tors. eta vs tors. theta energy: -20.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -299.633768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.633768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.633768 (E_RNA)
where:
Base-Base interactions energy: -182.215
where: short stacking energy: -88.007
Base-Backbone interact. energy: 0.362
local terms energy: -117.780833
where:
bonds (distance) C4'-P energy: -30.613
bonds (distance) P-C4' energy: -28.971
flat angles C4'-P-C4' energy: -21.011
flat angles P-C4'-P energy: -21.724
tors. eta vs tors. theta energy: -15.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -210.130384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.130384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.130384 (E_RNA)
where:
Base-Base interactions energy: -108.299
where: short stacking energy: -48.862
Base-Backbone interact. energy: -1.031
local terms energy: -100.799947
where:
bonds (distance) C4'-P energy: -32.642
bonds (distance) P-C4' energy: -22.372
flat angles C4'-P-C4' energy: -24.366
flat angles P-C4'-P energy: -14.352
tors. eta vs tors. theta energy: -7.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -533.790291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.790291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.790291 (E_RNA)
where:
Base-Base interactions energy: -359.989
where: short stacking energy: -181.036
Base-Backbone interact. energy: -0.754
local terms energy: -173.047698
where:
bonds (distance) C4'-P energy: -27.708
bonds (distance) P-C4' energy: -36.139
flat angles C4'-P-C4' energy: -35.380
flat angles P-C4'-P energy: -25.785
tors. eta vs tors. theta energy: -48.036
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: 6
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -523.107347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.107347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.107347 (E_RNA)
where:
Base-Base interactions energy: -353.216
where: short stacking energy: -153.458
Base-Backbone interact. energy: -0.718
local terms energy: -169.173435
where:
bonds (distance) C4'-P energy: -35.732
bonds (distance) P-C4' energy: -32.196
flat angles C4'-P-C4' energy: -34.075
flat angles P-C4'-P energy: -27.600
tors. eta vs tors. theta energy: -39.570
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: 9
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -472.888838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.888838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.888838 (E_RNA)
where:
Base-Base interactions energy: -305.588
where: short stacking energy: -155.508
Base-Backbone interact. energy: 0.494
local terms energy: -167.794086
where:
bonds (distance) C4'-P energy: -25.984
bonds (distance) P-C4' energy: -34.016
flat angles C4'-P-C4' energy: -32.963
flat angles P-C4'-P energy: -30.911
tors. eta vs tors. theta energy: -43.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -457.609232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.609232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.609232 (E_RNA)
where:
Base-Base interactions energy: -297.653
where: short stacking energy: -145.287
Base-Backbone interact. energy: -0.547
local terms energy: -159.409383
where:
bonds (distance) C4'-P energy: -37.848
bonds (distance) P-C4' energy: -28.989
flat angles C4'-P-C4' energy: -37.113
flat angles P-C4'-P energy: -18.197
tors. eta vs tors. theta energy: -37.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -377.401207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.401207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.401207 (E_RNA)
where:
Base-Base interactions energy: -222.846
where: short stacking energy: -127.301
Base-Backbone interact. energy: -0.705
local terms energy: -153.849644
where:
bonds (distance) C4'-P energy: -30.449
bonds (distance) P-C4' energy: -32.221
flat angles C4'-P-C4' energy: -36.009
flat angles P-C4'-P energy: -26.162
tors. eta vs tors. theta energy: -29.009
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: 2
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -384.627194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.627194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.627194 (E_RNA)
where:
Base-Base interactions energy: -250.981
where: short stacking energy: -120.781
Base-Backbone interact. energy: -0.341
local terms energy: -133.305223
where:
bonds (distance) C4'-P energy: -24.702
bonds (distance) P-C4' energy: -31.512
flat angles C4'-P-C4' energy: -29.829
flat angles P-C4'-P energy: -26.626
tors. eta vs tors. theta energy: -20.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -409.253710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.253710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.253710 (E_RNA)
where:
Base-Base interactions energy: -266.102
where: short stacking energy: -126.535
Base-Backbone interact. energy: 0.489
local terms energy: -143.641204
where:
bonds (distance) C4'-P energy: -29.494
bonds (distance) P-C4' energy: -34.830
flat angles C4'-P-C4' energy: -33.218
flat angles P-C4'-P energy: -19.533
tors. eta vs tors. theta energy: -26.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -312.824165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.824165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.824165 (E_RNA)
where:
Base-Base interactions energy: -204.844
where: short stacking energy: -71.783
Base-Backbone interact. energy: 0.994
local terms energy: -108.974043
where:
bonds (distance) C4'-P energy: -25.158
bonds (distance) P-C4' energy: -29.415
flat angles C4'-P-C4' energy: -15.000
flat angles P-C4'-P energy: -25.664
tors. eta vs tors. theta energy: -13.738
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: 1
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -302.594291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.594291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.594291 (E_RNA)
where:
Base-Base interactions energy: -178.246
where: short stacking energy: -82.722
Base-Backbone interact. energy: -0.312
local terms energy: -124.036886
where:
bonds (distance) C4'-P energy: -26.502
bonds (distance) P-C4' energy: -27.985
flat angles C4'-P-C4' energy: -32.953
flat angles P-C4'-P energy: -20.524
tors. eta vs tors. theta energy: -16.073
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: 442
Temperature: 1.350000
Total energy: -252.623995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.623995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.623995 (E_RNA)
where:
Base-Base interactions energy: -135.961
where: short stacking energy: -84.843
Base-Backbone interact. energy: 0.086
local terms energy: -116.748609
where:
bonds (distance) C4'-P energy: -25.907
bonds (distance) P-C4' energy: -35.335
flat angles C4'-P-C4' energy: -24.030
flat angles P-C4'-P energy: -11.046
tors. eta vs tors. theta energy: -20.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -551.181276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.181276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.181276 (E_RNA)
where:
Base-Base interactions energy: -363.012
where: short stacking energy: -183.315
Base-Backbone interact. energy: -0.254
local terms energy: -187.915067
where:
bonds (distance) C4'-P energy: -35.425
bonds (distance) P-C4' energy: -33.665
flat angles C4'-P-C4' energy: -37.807
flat angles P-C4'-P energy: -26.855
tors. eta vs tors. theta energy: -54.163
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: 2, replica: 6
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -501.113196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.113196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.113196 (E_RNA)
where:
Base-Base interactions energy: -329.980
where: short stacking energy: -156.837
Base-Backbone interact. energy: 0.659
local terms energy: -171.791813
where:
bonds (distance) C4'-P energy: -34.933
bonds (distance) P-C4' energy: -39.183
flat angles C4'-P-C4' energy: -32.226
flat angles P-C4'-P energy: -25.323
tors. eta vs tors. theta energy: -40.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -451.697085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.697085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.697085 (E_RNA)
where:
Base-Base interactions energy: -287.051
where: short stacking energy: -143.325
Base-Backbone interact. energy: -0.215
local terms energy: -164.430686
where:
bonds (distance) C4'-P energy: -31.191
bonds (distance) P-C4' energy: -34.676
flat angles C4'-P-C4' energy: -39.562
flat angles P-C4'-P energy: -24.566
tors. eta vs tors. theta energy: -34.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -380.538254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.538254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.538254 (E_RNA)
where:
Base-Base interactions energy: -240.443
where: short stacking energy: -135.268
Base-Backbone interact. energy: 3.028
local terms energy: -143.122759
where:
bonds (distance) C4'-P energy: -30.882
bonds (distance) P-C4' energy: -32.401
flat angles C4'-P-C4' energy: -30.788
flat angles P-C4'-P energy: -19.367
tors. eta vs tors. theta energy: -29.684
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: 443
Temperature: 1.100000
Total energy: -452.232859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.232859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.232859 (E_RNA)
where:
Base-Base interactions energy: -302.385
where: short stacking energy: -134.510
Base-Backbone interact. energy: 1.442
local terms energy: -151.289388
where:
bonds (distance) C4'-P energy: -27.247
bonds (distance) P-C4' energy: -31.972
flat angles C4'-P-C4' energy: -34.512
flat angles P-C4'-P energy: -26.432
tors. eta vs tors. theta energy: -31.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -426.694642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.694642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.694642 (E_RNA)
where:
Base-Base interactions energy: -287.217
where: short stacking energy: -129.633
Base-Backbone interact. energy: -0.514
local terms energy: -138.963800
where:
bonds (distance) C4'-P energy: -26.132
bonds (distance) P-C4' energy: -30.010
flat angles C4'-P-C4' energy: -37.769
flat angles P-C4'-P energy: -16.673
tors. eta vs tors. theta energy: -28.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -393.790496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.790496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.790496 (E_RNA)
where:
Base-Base interactions energy: -246.933
where: short stacking energy: -128.394
Base-Backbone interact. energy: 0.565
local terms energy: -147.422495
where:
bonds (distance) C4'-P energy: -35.368
bonds (distance) P-C4' energy: -33.086
flat angles C4'-P-C4' energy: -33.573
flat angles P-C4'-P energy: -13.873
tors. eta vs tors. theta energy: -31.522
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: 1
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -305.293265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.293265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.293265 (E_RNA)
where:
Base-Base interactions energy: -175.328
where: short stacking energy: -97.817
Base-Backbone interact. energy: -0.118
local terms energy: -129.847692
where:
bonds (distance) C4'-P energy: -27.294
bonds (distance) P-C4' energy: -29.245
flat angles C4'-P-C4' energy: -31.779
flat angles P-C4'-P energy: -18.966
tors. eta vs tors. theta energy: -22.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -297.106873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.106873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.106873 (E_RNA)
where:
Base-Base interactions energy: -192.916
where: short stacking energy: -86.270
Base-Backbone interact. energy: -0.599
local terms energy: -103.591220
where:
bonds (distance) C4'-P energy: -23.538
bonds (distance) P-C4' energy: -26.331
flat angles C4'-P-C4' energy: -27.297
flat angles P-C4'-P energy: -16.001
tors. eta vs tors. theta energy: -10.425
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: 7
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -271.880536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.880536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.880536 (E_RNA)
where:
Base-Base interactions energy: -157.366
where: short stacking energy: -84.670
Base-Backbone interact. energy: -1.414
local terms energy: -113.101366
where:
bonds (distance) C4'-P energy: -23.244
bonds (distance) P-C4' energy: -31.450
flat angles C4'-P-C4' energy: -29.660
flat angles P-C4'-P energy: -13.579
tors. eta vs tors. theta energy: -15.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -533.202165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.202165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.202165 (E_RNA)
where:
Base-Base interactions energy: -363.966
where: short stacking energy: -159.396
Base-Backbone interact. energy: -0.385
local terms energy: -168.851468
where:
bonds (distance) C4'-P energy: -35.048
bonds (distance) P-C4' energy: -37.772
flat angles C4'-P-C4' energy: -38.448
flat angles P-C4'-P energy: -18.478
tors. eta vs tors. theta energy: -39.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -549.660386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.660386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.660386 (E_RNA)
where:
Base-Base interactions energy: -357.114
where: short stacking energy: -181.229
Base-Backbone interact. energy: -0.506
local terms energy: -192.040538
where:
bonds (distance) C4'-P energy: -34.587
bonds (distance) P-C4' energy: -31.389
flat angles C4'-P-C4' energy: -42.139
flat angles P-C4'-P energy: -32.306
tors. eta vs tors. theta energy: -51.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -479.713578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.713578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.713578 (E_RNA)
where:
Base-Base interactions energy: -303.890
where: short stacking energy: -160.167
Base-Backbone interact. energy: -0.108
local terms energy: -175.716167
where:
bonds (distance) C4'-P energy: -33.071
bonds (distance) P-C4' energy: -33.757
flat angles C4'-P-C4' energy: -39.106
flat angles P-C4'-P energy: -26.701
tors. eta vs tors. theta energy: -43.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -388.072790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.072790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.072790 (E_RNA)
where:
Base-Base interactions energy: -233.306
where: short stacking energy: -129.754
Base-Backbone interact. energy: -0.329
local terms energy: -154.438531
where:
bonds (distance) C4'-P energy: -35.035
bonds (distance) P-C4' energy: -37.739
flat angles C4'-P-C4' energy: -35.329
flat angles P-C4'-P energy: -21.414
tors. eta vs tors. theta energy: -24.922
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: 4
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -431.657644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.657644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.657644 (E_RNA)
where:
Base-Base interactions energy: -282.634
where: short stacking energy: -130.280
Base-Backbone interact. energy: -0.216
local terms energy: -148.807627
where:
bonds (distance) C4'-P energy: -34.017
bonds (distance) P-C4' energy: -29.251
flat angles C4'-P-C4' energy: -29.166
flat angles P-C4'-P energy: -28.764
tors. eta vs tors. theta energy: -27.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -448.089844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.089844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.089844 (E_RNA)
where:
Base-Base interactions energy: -288.075
where: short stacking energy: -146.274
Base-Backbone interact. energy: 1.684
local terms energy: -161.698878
where:
bonds (distance) C4'-P energy: -26.036
bonds (distance) P-C4' energy: -34.182
flat angles C4'-P-C4' energy: -38.637
flat angles P-C4'-P energy: -22.551
tors. eta vs tors. theta energy: -40.293
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: 2
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -353.399809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.399809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.399809 (E_RNA)
where:
Base-Base interactions energy: -227.752
where: short stacking energy: -105.664
Base-Backbone interact. energy: -0.345
local terms energy: -125.302436
where:
bonds (distance) C4'-P energy: -26.108
bonds (distance) P-C4' energy: -33.818
flat angles C4'-P-C4' energy: -28.900
flat angles P-C4'-P energy: -21.934
tors. eta vs tors. theta energy: -14.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -331.869505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.869505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.869505 (E_RNA)
where:
Base-Base interactions energy: -208.870
where: short stacking energy: -105.708
Base-Backbone interact. energy: -0.767
local terms energy: -122.232373
where:
bonds (distance) C4'-P energy: -25.451
bonds (distance) P-C4' energy: -33.951
flat angles C4'-P-C4' energy: -33.006
flat angles P-C4'-P energy: -12.332
tors. eta vs tors. theta energy: -17.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -331.587178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.587178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.587178 (E_RNA)
where:
Base-Base interactions energy: -208.288
where: short stacking energy: -99.605
Base-Backbone interact. energy: -1.494
local terms energy: -121.804604
where:
bonds (distance) C4'-P energy: -29.996
bonds (distance) P-C4' energy: -33.278
flat angles C4'-P-C4' energy: -29.920
flat angles P-C4'-P energy: -9.440
tors. eta vs tors. theta energy: -19.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -289.098969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.098969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.098969 (E_RNA)
where:
Base-Base interactions energy: -185.090
where: short stacking energy: -84.223
Base-Backbone interact. energy: 3.323
local terms energy: -107.332500
where:
bonds (distance) C4'-P energy: -35.709
bonds (distance) P-C4' energy: -17.639
flat angles C4'-P-C4' energy: -22.755
flat angles P-C4'-P energy: -20.863
tors. eta vs tors. theta energy: -10.367
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: 6
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -562.123914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.123914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.123914 (E_RNA)
where:
Base-Base interactions energy: -367.933
where: short stacking energy: -170.372
Base-Backbone interact. energy: -1.880
local terms energy: -192.310992
where:
bonds (distance) C4'-P energy: -41.101
bonds (distance) P-C4' energy: -35.054
flat angles C4'-P-C4' energy: -42.857
flat angles P-C4'-P energy: -26.833
tors. eta vs tors. theta energy: -46.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -511.641269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.641269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.641269 (E_RNA)
where:
Base-Base interactions energy: -339.419
where: short stacking energy: -178.126
Base-Backbone interact. energy: -0.815
local terms energy: -171.406713
where:
bonds (distance) C4'-P energy: -34.059
bonds (distance) P-C4' energy: -38.768
flat angles C4'-P-C4' energy: -35.384
flat angles P-C4'-P energy: -18.215
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: 3, replica: 9
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -465.666050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.666050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.666050 (E_RNA)
where:
Base-Base interactions energy: -305.673
where: short stacking energy: -157.332
Base-Backbone interact. energy: 0.919
local terms energy: -160.912664
where:
bonds (distance) C4'-P energy: -26.588
bonds (distance) P-C4' energy: -34.354
flat angles C4'-P-C4' energy: -37.353
flat angles P-C4'-P energy: -19.400
tors. eta vs tors. theta energy: -43.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -454.954899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.954899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.954899 (E_RNA)
where:
Base-Base interactions energy: -297.970
where: short stacking energy: -137.721
Base-Backbone interact. energy: -0.166
local terms energy: -156.818564
where:
bonds (distance) C4'-P energy: -32.202
bonds (distance) P-C4' energy: -29.713
flat angles C4'-P-C4' energy: -32.669
flat angles P-C4'-P energy: -26.997
tors. eta vs tors. theta energy: -35.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -381.205009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.205009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.205009 (E_RNA)
where:
Base-Base interactions energy: -240.283
where: short stacking energy: -126.150
Base-Backbone interact. energy: 0.007
local terms energy: -140.928462
where:
bonds (distance) C4'-P energy: -31.106
bonds (distance) P-C4' energy: -31.805
flat angles C4'-P-C4' energy: -28.677
flat angles P-C4'-P energy: -22.056
tors. eta vs tors. theta energy: -27.285
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: 10
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -438.274413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.274413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.274413 (E_RNA)
where:
Base-Base interactions energy: -289.453
where: short stacking energy: -142.307
Base-Backbone interact. energy: -0.452
local terms energy: -148.368566
where:
bonds (distance) C4'-P energy: -32.913
bonds (distance) P-C4' energy: -26.231
flat angles C4'-P-C4' energy: -36.128
flat angles P-C4'-P energy: -16.815
tors. eta vs tors. theta energy: -36.281
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: 7, replica: 2
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -321.347142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.347142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.347142 (E_RNA)
where:
Base-Base interactions energy: -201.205
where: short stacking energy: -86.119
Base-Backbone interact. energy: -0.387
local terms energy: -119.754956
where:
bonds (distance) C4'-P energy: -28.680
bonds (distance) P-C4' energy: -31.292
flat angles C4'-P-C4' energy: -28.629
flat angles P-C4'-P energy: -17.583
tors. eta vs tors. theta energy: -13.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -317.361878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.361878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.361878 (E_RNA)
where:
Base-Base interactions energy: -189.317
where: short stacking energy: -107.328
Base-Backbone interact. energy: -0.141
local terms energy: -127.904255
where:
bonds (distance) C4'-P energy: -25.745
bonds (distance) P-C4' energy: -35.910
flat angles C4'-P-C4' energy: -30.325
flat angles P-C4'-P energy: -12.411
tors. eta vs tors. theta energy: -23.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -296.034108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.034108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.034108 (E_RNA)
where:
Base-Base interactions energy: -179.421
where: short stacking energy: -82.111
Base-Backbone interact. energy: -0.500
local terms energy: -116.112798
where:
bonds (distance) C4'-P energy: -36.935
bonds (distance) P-C4' energy: -33.526
flat angles C4'-P-C4' energy: -22.714
flat angles P-C4'-P energy: -12.832
tors. eta vs tors. theta energy: -10.106
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: 7
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -298.024621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.024621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.024621 (E_RNA)
where:
Base-Base interactions energy: -181.095
where: short stacking energy: -92.954
Base-Backbone interact. energy: -1.096
local terms energy: -115.832878
where:
bonds (distance) C4'-P energy: -18.902
bonds (distance) P-C4' energy: -31.084
flat angles C4'-P-C4' energy: -31.700
flat angles P-C4'-P energy: -18.228
tors. eta vs tors. theta energy: -15.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -562.315218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.315218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.315218 (E_RNA)
where:
Base-Base interactions energy: -384.979
where: short stacking energy: -183.855
Base-Backbone interact. energy: -0.791
local terms energy: -176.545441
where:
bonds (distance) C4'-P energy: -30.920
bonds (distance) P-C4' energy: -34.656
flat angles C4'-P-C4' energy: -36.441
flat angles P-C4'-P energy: -29.355
tors. eta vs tors. theta energy: -45.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -514.453248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.453248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.453248 (E_RNA)
where:
Base-Base interactions energy: -333.525
where: short stacking energy: -167.098
Base-Backbone interact. energy: -0.173
local terms energy: -180.755738
where:
bonds (distance) C4'-P energy: -33.041
bonds (distance) P-C4' energy: -38.420
flat angles C4'-P-C4' energy: -35.741
flat angles P-C4'-P energy: -30.491
tors. eta vs tors. theta energy: -43.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -480.472112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.472112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.472112 (E_RNA)
where:
Base-Base interactions energy: -300.866
where: short stacking energy: -161.423
Base-Backbone interact. energy: 0.050
local terms energy: -179.656025
where:
bonds (distance) C4'-P energy: -38.526
bonds (distance) P-C4' energy: -38.562
flat angles C4'-P-C4' energy: -29.695
flat angles P-C4'-P energy: -24.471
tors. eta vs tors. theta energy: -48.402
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: 4
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -451.525664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.525664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.525664 (E_RNA)
where:
Base-Base interactions energy: -298.762
where: short stacking energy: -151.599
Base-Backbone interact. energy: -1.333
local terms energy: -151.429899
where:
bonds (distance) C4'-P energy: -29.306
bonds (distance) P-C4' energy: -35.359
flat angles C4'-P-C4' energy: -33.650
flat angles P-C4'-P energy: -18.146
tors. eta vs tors. theta energy: -34.968
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: 446
Temperature: 1.100000
Total energy: -387.410684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.410684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.410684 (E_RNA)
where:
Base-Base interactions energy: -237.544
where: short stacking energy: -118.228
Base-Backbone interact. energy: -0.422
local terms energy: -149.444381
where:
bonds (distance) C4'-P energy: -21.165
bonds (distance) P-C4' energy: -36.969
flat angles C4'-P-C4' energy: -33.841
flat angles P-C4'-P energy: -21.538
tors. eta vs tors. theta energy: -35.930
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: 10
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -385.658054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.658054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.658054 (E_RNA)
where:
Base-Base interactions energy: -233.190
where: short stacking energy: -118.039
Base-Backbone interact. energy: -0.488
local terms energy: -151.980001
where:
bonds (distance) C4'-P energy: -29.210
bonds (distance) P-C4' energy: -29.635
flat angles C4'-P-C4' energy: -29.696
flat angles P-C4'-P energy: -26.460
tors. eta vs tors. theta energy: -36.979
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: 2
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -339.565218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.565218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.565218 (E_RNA)
where:
Base-Base interactions energy: -210.748
where: short stacking energy: -112.405
Base-Backbone interact. energy: -0.385
local terms energy: -128.432260
where:
bonds (distance) C4'-P energy: -23.655
bonds (distance) P-C4' energy: -34.739
flat angles C4'-P-C4' energy: -32.372
flat angles P-C4'-P energy: -21.731
tors. eta vs tors. theta energy: -15.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -309.698025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.698025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.698025 (E_RNA)
where:
Base-Base interactions energy: -180.302
where: short stacking energy: -79.963
Base-Backbone interact. energy: -0.722
local terms energy: -128.674297
where:
bonds (distance) C4'-P energy: -25.242
bonds (distance) P-C4' energy: -33.738
flat angles C4'-P-C4' energy: -34.542
flat angles P-C4'-P energy: -26.639
tors. eta vs tors. theta energy: -8.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 446
Temperature: 1.300000
Total energy: -236.529458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.529458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.529458 (E_RNA)
where:
Base-Base interactions energy: -126.805
where: short stacking energy: -74.961
Base-Backbone interact. energy: -0.714
local terms energy: -109.010692
where:
bonds (distance) C4'-P energy: -29.031
bonds (distance) P-C4' energy: -21.117
flat angles C4'-P-C4' energy: -28.848
flat angles P-C4'-P energy: -16.706
tors. eta vs tors. theta energy: -13.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -227.345371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.345371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.345371 (E_RNA)
where:
Base-Base interactions energy: -125.710
where: short stacking energy: -86.594
Base-Backbone interact. energy: -0.523
local terms energy: -101.112765
where:
bonds (distance) C4'-P energy: -20.669
bonds (distance) P-C4' energy: -28.370
flat angles C4'-P-C4' energy: -23.266
flat angles P-C4'-P energy: -18.898
tors. eta vs tors. theta energy: -9.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -544.437498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.437498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.437498 (E_RNA)
where:
Base-Base interactions energy: -369.037
where: short stacking energy: -171.906
Base-Backbone interact. energy: -0.646
local terms energy: -174.754366
where:
bonds (distance) C4'-P energy: -33.672
bonds (distance) P-C4' energy: -34.111
flat angles C4'-P-C4' energy: -34.188
flat angles P-C4'-P energy: -26.656
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: 2, replica: 5
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -530.295016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.295016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.295016 (E_RNA)
where:
Base-Base interactions energy: -349.893
where: short stacking energy: -174.999
Base-Backbone interact. energy: -0.079
local terms energy: -180.322985
where:
bonds (distance) C4'-P energy: -34.166
bonds (distance) P-C4' energy: -35.569
flat angles C4'-P-C4' energy: -32.934
flat angles P-C4'-P energy: -24.221
tors. eta vs tors. theta energy: -53.432
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: 9
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -456.687187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.687187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.687187 (E_RNA)
where:
Base-Base interactions energy: -290.819
where: short stacking energy: -140.264
Base-Backbone interact. energy: 1.375
local terms energy: -167.243319
where:
bonds (distance) C4'-P energy: -30.932
bonds (distance) P-C4' energy: -33.446
flat angles C4'-P-C4' energy: -35.062
flat angles P-C4'-P energy: -28.810
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: 4, replica: 4
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -441.071110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.071110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.071110 (E_RNA)
where:
Base-Base interactions energy: -296.692
where: short stacking energy: -135.365
Base-Backbone interact. energy: -0.352
local terms energy: -144.026669
where:
bonds (distance) C4'-P energy: -27.920
bonds (distance) P-C4' energy: -31.949
flat angles C4'-P-C4' energy: -30.586
flat angles P-C4'-P energy: -20.434
tors. eta vs tors. theta energy: -33.137
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: 5, replica: 8
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -390.035333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.035333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.035333 (E_RNA)
where:
Base-Base interactions energy: -250.744
where: short stacking energy: -120.066
Base-Backbone interact. energy: -0.876
local terms energy: -138.415770
where:
bonds (distance) C4'-P energy: -31.304
bonds (distance) P-C4' energy: -35.674
flat angles C4'-P-C4' energy: -24.500
flat angles P-C4'-P energy: -25.373
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: 6, replica: 2
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -347.784863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.784863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.784863 (E_RNA)
where:
Base-Base interactions energy: -209.815
where: short stacking energy: -103.719
Base-Backbone interact. energy: -0.196
local terms energy: -137.773921
where:
bonds (distance) C4'-P energy: -30.458
bonds (distance) P-C4' energy: -33.603
flat angles C4'-P-C4' energy: -30.644
flat angles P-C4'-P energy: -21.382
tors. eta vs tors. theta energy: -21.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -357.546229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.546229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.546229 (E_RNA)
where:
Base-Base interactions energy: -232.083
where: short stacking energy: -99.215
Base-Backbone interact. energy: -0.980
local terms energy: -124.482376
where:
bonds (distance) C4'-P energy: -32.009
bonds (distance) P-C4' energy: -31.248
flat angles C4'-P-C4' energy: -28.437
flat angles P-C4'-P energy: -15.432
tors. eta vs tors. theta energy: -17.355
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: 3
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -305.961150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.961150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.961150 (E_RNA)
where:
Base-Base interactions energy: -185.020
where: short stacking energy: -93.523
Base-Backbone interact. energy: 1.826
local terms energy: -122.767408
where:
bonds (distance) C4'-P energy: -27.301
bonds (distance) P-C4' energy: -32.783
flat angles C4'-P-C4' energy: -24.543
flat angles P-C4'-P energy: -18.811
tors. eta vs tors. theta energy: -19.329
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: 7
=====================================
Write number: 447
Temperature: 1.300000
Total energy: -232.220355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.220355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.220355 (E_RNA)
where:
Base-Base interactions energy: -116.162
where: short stacking energy: -64.379
Base-Backbone interact. energy: 1.595
local terms energy: -117.652927
where:
bonds (distance) C4'-P energy: -31.546
bonds (distance) P-C4' energy: -29.800
flat angles C4'-P-C4' energy: -31.181
flat angles P-C4'-P energy: -19.605
tors. eta vs tors. theta energy: -5.521
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: 1
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -228.628997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.628997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.628997 (E_RNA)
where:
Base-Base interactions energy: -137.519
where: short stacking energy: -65.887
Base-Backbone interact. energy: -0.666
local terms energy: -90.443908
where:
bonds (distance) C4'-P energy: -27.356
bonds (distance) P-C4' energy: -23.971
flat angles C4'-P-C4' energy: -25.980
flat angles P-C4'-P energy: -16.325
tors. eta vs tors. theta energy: 3.187
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: 6
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -547.410737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.410737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.410737 (E_RNA)
where:
Base-Base interactions energy: -361.520
where: short stacking energy: -163.563
Base-Backbone interact. energy: -0.575
local terms energy: -185.315843
where:
bonds (distance) C4'-P energy: -38.138
bonds (distance) P-C4' energy: -35.073
flat angles C4'-P-C4' energy: -43.665
flat angles P-C4'-P energy: -25.007
tors. eta vs tors. theta energy: -43.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -524.970632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.970632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.970632 (E_RNA)
where:
Base-Base interactions energy: -350.461
where: short stacking energy: -178.672
Base-Backbone interact. energy: -0.240
local terms energy: -174.270534
where:
bonds (distance) C4'-P energy: -34.447
bonds (distance) P-C4' energy: -32.294
flat angles C4'-P-C4' energy: -39.517
flat angles P-C4'-P energy: -21.105
tors. eta vs tors. theta energy: -46.907
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: 3, replica: 9
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -471.582831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.582831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.582831 (E_RNA)
where:
Base-Base interactions energy: -308.516
where: short stacking energy: -161.226
Base-Backbone interact. energy: -0.481
local terms energy: -162.585813
where:
bonds (distance) C4'-P energy: -28.470
bonds (distance) P-C4' energy: -36.229
flat angles C4'-P-C4' energy: -35.703
flat angles P-C4'-P energy: -19.630
tors. eta vs tors. theta energy: -42.554
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: 4
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -469.451847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.451847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.451847 (E_RNA)
where:
Base-Base interactions energy: -312.687
where: short stacking energy: -151.211
Base-Backbone interact. energy: 0.909
local terms energy: -157.673664
where:
bonds (distance) C4'-P energy: -24.108
bonds (distance) P-C4' energy: -34.573
flat angles C4'-P-C4' energy: -39.259
flat angles P-C4'-P energy: -24.751
tors. eta vs tors. theta energy: -34.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -367.721073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.721073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.721073 (E_RNA)
where:
Base-Base interactions energy: -227.483
where: short stacking energy: -124.205
Base-Backbone interact. energy: -0.616
local terms energy: -139.622794
where:
bonds (distance) C4'-P energy: -30.974
bonds (distance) P-C4' energy: -32.801
flat angles C4'-P-C4' energy: -26.860
flat angles P-C4'-P energy: -18.613
tors. eta vs tors. theta energy: -30.375
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: 2
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -351.667390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.667390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.667390 (E_RNA)
where:
Base-Base interactions energy: -217.695
where: short stacking energy: -101.038
Base-Backbone interact. energy: -1.085
local terms energy: -132.887131
where:
bonds (distance) C4'-P energy: -28.957
bonds (distance) P-C4' energy: -31.701
flat angles C4'-P-C4' energy: -31.754
flat angles P-C4'-P energy: -22.052
tors. eta vs tors. theta energy: -18.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -409.859530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.859530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.859530 (E_RNA)
where:
Base-Base interactions energy: -249.726
where: short stacking energy: -115.977
Base-Backbone interact. energy: -0.331
local terms energy: -159.802136
where:
bonds (distance) C4'-P energy: -35.958
bonds (distance) P-C4' energy: -36.898
flat angles C4'-P-C4' energy: -35.431
flat angles P-C4'-P energy: -20.761
tors. eta vs tors. theta energy: -30.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -311.155087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.155087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.155087 (E_RNA)
where:
Base-Base interactions energy: -198.074
where: short stacking energy: -90.961
Base-Backbone interact. energy: 0.553
local terms energy: -113.634864
where:
bonds (distance) C4'-P energy: -28.137
bonds (distance) P-C4' energy: -28.305
flat angles C4'-P-C4' energy: -25.737
flat angles P-C4'-P energy: -17.736
tors. eta vs tors. theta energy: -13.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -227.424968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.424968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.424968 (E_RNA)
where:
Base-Base interactions energy: -116.403
where: short stacking energy: -74.975
Base-Backbone interact. energy: -0.332
local terms energy: -110.689673
where:
bonds (distance) C4'-P energy: -28.234
bonds (distance) P-C4' energy: -24.934
flat angles C4'-P-C4' energy: -28.404
flat angles P-C4'-P energy: -18.013
tors. eta vs tors. theta energy: -11.104
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: 448
Temperature: 1.350000
Total energy: -223.237977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.237977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.237977 (E_RNA)
where:
Base-Base interactions energy: -105.694
where: short stacking energy: -53.017
Base-Backbone interact. energy: -0.321
local terms energy: -117.223157
where:
bonds (distance) C4'-P energy: -26.901
bonds (distance) P-C4' energy: -34.299
flat angles C4'-P-C4' energy: -26.770
flat angles P-C4'-P energy: -22.652
tors. eta vs tors. theta energy: -6.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -553.329080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.329080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.329080 (E_RNA)
where:
Base-Base interactions energy: -373.671
where: short stacking energy: -170.552
Base-Backbone interact. energy: -0.618
local terms energy: -179.040034
where:
bonds (distance) C4'-P energy: -36.819
bonds (distance) P-C4' energy: -35.316
flat angles C4'-P-C4' energy: -40.836
flat angles P-C4'-P energy: -24.659
tors. eta vs tors. theta energy: -41.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -530.567259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.567259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.567259 (E_RNA)
where:
Base-Base interactions energy: -351.594
where: short stacking energy: -178.855
Base-Backbone interact. energy: -0.018
local terms energy: -178.955338
where:
bonds (distance) C4'-P energy: -32.486
bonds (distance) P-C4' energy: -33.833
flat angles C4'-P-C4' energy: -27.220
flat angles P-C4'-P energy: -29.150
tors. eta vs tors. theta energy: -56.267
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: 9
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -461.588977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.588977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.588977 (E_RNA)
where:
Base-Base interactions energy: -287.444
where: short stacking energy: -153.496
Base-Backbone interact. energy: -0.427
local terms energy: -173.717803
where:
bonds (distance) C4'-P energy: -34.564
bonds (distance) P-C4' energy: -37.084
flat angles C4'-P-C4' energy: -40.081
flat angles P-C4'-P energy: -21.411
tors. eta vs tors. theta energy: -40.577
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: 449
Temperature: 1.050000
Total energy: -518.458903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.458903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.458903 (E_RNA)
where:
Base-Base interactions energy: -345.130
where: short stacking energy: -155.758
Base-Backbone interact. energy: -0.862
local terms energy: -172.466524
where:
bonds (distance) C4'-P energy: -34.021
bonds (distance) P-C4' energy: -33.670
flat angles C4'-P-C4' energy: -38.720
flat angles P-C4'-P energy: -28.282
tors. eta vs tors. theta energy: -37.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 449
Temperature: 1.100000
Total energy: -388.767498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.767498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.767498 (E_RNA)
where:
Base-Base interactions energy: -254.586
where: short stacking energy: -134.347
Base-Backbone interact. energy: 0.188
local terms energy: -134.369961
where:
bonds (distance) C4'-P energy: -25.832
bonds (distance) P-C4' energy: -32.194
flat angles C4'-P-C4' energy: -30.087
flat angles P-C4'-P energy: -18.256
tors. eta vs tors. theta energy: -28.001
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: 10
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -395.571470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.571470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.571470 (E_RNA)
where:
Base-Base interactions energy: -254.931
where: short stacking energy: -119.310
Base-Backbone interact. energy: -0.293
local terms energy: -140.347317
where:
bonds (distance) C4'-P energy: -33.245
bonds (distance) P-C4' energy: -33.849
flat angles C4'-P-C4' energy: -31.691
flat angles P-C4'-P energy: -17.251
tors. eta vs tors. theta energy: -24.312
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: 2
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -333.723515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.723515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.723515 (E_RNA)
where:
Base-Base interactions energy: -197.509
where: short stacking energy: -98.710
Base-Backbone interact. energy: -0.426
local terms energy: -135.788186
where:
bonds (distance) C4'-P energy: -34.697
bonds (distance) P-C4' energy: -23.918
flat angles C4'-P-C4' energy: -34.552
flat angles P-C4'-P energy: -22.727
tors. eta vs tors. theta energy: -19.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -310.491448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.491448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.491448 (E_RNA)
where:
Base-Base interactions energy: -184.589
where: short stacking energy: -74.847
Base-Backbone interact. energy: -0.055
local terms energy: -125.846756
where:
bonds (distance) C4'-P energy: -33.330
bonds (distance) P-C4' energy: -29.439
flat angles C4'-P-C4' energy: -36.129
flat angles P-C4'-P energy: -22.937
tors. eta vs tors. theta energy: -4.011
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: 1
=====================================
Write number: 449
Temperature: 1.300000
Total energy: -223.005236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.005236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.005236 (E_RNA)
where:
Base-Base interactions energy: -105.660
where: short stacking energy: -65.320
Base-Backbone interact. energy: -0.349
local terms energy: -116.996116
where:
bonds (distance) C4'-P energy: -26.189
bonds (distance) P-C4' energy: -40.176
flat angles C4'-P-C4' energy: -28.080
flat angles P-C4'-P energy: -15.885
tors. eta vs tors. theta energy: -6.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -217.690841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.690841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.690841 (E_RNA)
where:
Base-Base interactions energy: -119.171
where: short stacking energy: -70.002
Base-Backbone interact. energy: -0.385
local terms energy: -98.134966
where:
bonds (distance) C4'-P energy: -32.020
bonds (distance) P-C4' energy: -30.745
flat angles C4'-P-C4' energy: -21.920
flat angles P-C4'-P energy: -9.980
tors. eta vs tors. theta energy: -3.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -546.058987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.058987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.058987 (E_RNA)
where:
Base-Base interactions energy: -368.919
where: short stacking energy: -164.022
Base-Backbone interact. energy: -1.418
local terms energy: -175.722059
where:
bonds (distance) C4'-P energy: -31.016
bonds (distance) P-C4' energy: -37.832
flat angles C4'-P-C4' energy: -34.377
flat angles P-C4'-P energy: -27.558
tors. eta vs tors. theta energy: -44.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -544.067029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.067029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.067029 (E_RNA)
where:
Base-Base interactions energy: -361.466
where: short stacking energy: -185.866
Base-Backbone interact. energy: -0.015
local terms energy: -182.585749
where:
bonds (distance) C4'-P energy: -29.770
bonds (distance) P-C4' energy: -35.922
flat angles C4'-P-C4' energy: -41.380
flat angles P-C4'-P energy: -26.110
tors. eta vs tors. theta energy: -49.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -493.059782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.059782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.059782 (E_RNA)
where:
Base-Base interactions energy: -334.558
where: short stacking energy: -128.946
Base-Backbone interact. energy: -1.385
local terms energy: -157.116798
where:
bonds (distance) C4'-P energy: -30.663
bonds (distance) P-C4' energy: -39.017
flat angles C4'-P-C4' energy: -35.948
flat angles P-C4'-P energy: -23.312
tors. eta vs tors. theta energy: -28.175
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: 9
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -443.594518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.594518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.594518 (E_RNA)
where:
Base-Base interactions energy: -293.112
where: short stacking energy: -151.273
Base-Backbone interact. energy: 0.186
local terms energy: -150.668460
where:
bonds (distance) C4'-P energy: -23.192
bonds (distance) P-C4' energy: -35.987
flat angles C4'-P-C4' energy: -34.105
flat angles P-C4'-P energy: -19.288
tors. eta vs tors. theta energy: -38.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -453.692873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.692873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.692873 (E_RNA)
where:
Base-Base interactions energy: -288.084
where: short stacking energy: -159.722
Base-Backbone interact. energy: -0.059
local terms energy: -165.549603
where:
bonds (distance) C4'-P energy: -32.382
bonds (distance) P-C4' energy: -25.309
flat angles C4'-P-C4' energy: -40.243
flat angles P-C4'-P energy: -24.617
tors. eta vs tors. theta energy: -42.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -338.638174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.638174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.638174 (E_RNA)
where:
Base-Base interactions energy: -225.287
where: short stacking energy: -100.763
Base-Backbone interact. energy: -0.954
local terms energy: -112.397203
where:
bonds (distance) C4'-P energy: -24.564
bonds (distance) P-C4' energy: -31.440
flat angles C4'-P-C4' energy: -27.736
flat angles P-C4'-P energy: -20.621
tors. eta vs tors. theta energy: -8.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -351.007452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.007452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.007452 (E_RNA)
where:
Base-Base interactions energy: -215.448
where: short stacking energy: -107.230
Base-Backbone interact. energy: -0.485
local terms energy: -135.073971
where:
bonds (distance) C4'-P energy: -37.304
bonds (distance) P-C4' energy: -29.941
flat angles C4'-P-C4' energy: -24.107
flat angles P-C4'-P energy: -26.368
tors. eta vs tors. theta energy: -17.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -301.933851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.933851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.933851 (E_RNA)
where:
Base-Base interactions energy: -186.130
where: short stacking energy: -92.644
Base-Backbone interact. energy: -0.188
local terms energy: -115.615821
where:
bonds (distance) C4'-P energy: -34.978
bonds (distance) P-C4' energy: -24.837
flat angles C4'-P-C4' energy: -20.227
flat angles P-C4'-P energy: -17.707
tors. eta vs tors. theta energy: -17.866
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: 1
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -234.164480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.164480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.164480 (E_RNA)
where:
Base-Base interactions energy: -124.365
where: short stacking energy: -71.983
Base-Backbone interact. energy: -0.743
local terms energy: -109.056976
where:
bonds (distance) C4'-P energy: -26.300
bonds (distance) P-C4' energy: -28.789
flat angles C4'-P-C4' energy: -27.424
flat angles P-C4'-P energy: -16.368
tors. eta vs tors. theta energy: -10.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -245.719857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.719857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.719857 (E_RNA)
where:
Base-Base interactions energy: -142.629
where: short stacking energy: -78.448
Base-Backbone interact. energy: -0.227
local terms energy: -102.864054
where:
bonds (distance) C4'-P energy: -25.557
bonds (distance) P-C4' energy: -23.234
flat angles C4'-P-C4' energy: -23.202
flat angles P-C4'-P energy: -19.143
tors. eta vs tors. theta energy: -11.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 451
Temperature: 0.900000
Total energy: -538.191034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.191034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.191034 (E_RNA)
where:
Base-Base interactions energy: -365.778
where: short stacking energy: -154.196
Base-Backbone interact. energy: -2.471
local terms energy: -169.942357
where:
bonds (distance) C4'-P energy: -27.968
bonds (distance) P-C4' energy: -33.015
flat angles C4'-P-C4' energy: -39.797
flat angles P-C4'-P energy: -28.428
tors. eta vs tors. theta energy: -40.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -542.688440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.688440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.688440 (E_RNA)
where:
Base-Base interactions energy: -354.046
where: short stacking energy: -190.820
Base-Backbone interact. energy: -0.093
local terms energy: -188.549374
where:
bonds (distance) C4'-P energy: -33.991
bonds (distance) P-C4' energy: -37.860
flat angles C4'-P-C4' energy: -40.329
flat angles P-C4'-P energy: -22.732
tors. eta vs tors. theta energy: -53.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -506.077570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.077570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.077570 (E_RNA)
where:
Base-Base interactions energy: -354.169
where: short stacking energy: -142.609
Base-Backbone interact. energy: -0.358
local terms energy: -151.550853
where:
bonds (distance) C4'-P energy: -33.267
bonds (distance) P-C4' energy: -32.018
flat angles C4'-P-C4' energy: -29.374
flat angles P-C4'-P energy: -21.485
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: 9
=====================================
Write number: 451
Temperature: 1.050000
Total energy: -469.713620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.713620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.713620 (E_RNA)
where:
Base-Base interactions energy: -298.566
where: short stacking energy: -159.574
Base-Backbone interact. energy: -0.196
local terms energy: -170.951297
where:
bonds (distance) C4'-P energy: -32.254
bonds (distance) P-C4' energy: -37.940
flat angles C4'-P-C4' energy: -29.812
flat angles P-C4'-P energy: -29.156
tors. eta vs tors. theta energy: -41.790
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: 10
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -410.407679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.407679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.407679 (E_RNA)
where:
Base-Base interactions energy: -267.055
where: short stacking energy: -121.780
Base-Backbone interact. energy: -1.471
local terms energy: -141.881875
where:
bonds (distance) C4'-P energy: -33.712
bonds (distance) P-C4' energy: -24.385
flat angles C4'-P-C4' energy: -33.192
flat angles P-C4'-P energy: -25.369
tors. eta vs tors. theta energy: -25.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -379.402245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.402245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.402245 (E_RNA)
where:
Base-Base interactions energy: -225.278
where: short stacking energy: -131.699
Base-Backbone interact. energy: -0.307
local terms energy: -153.817642
where:
bonds (distance) C4'-P energy: -28.730
bonds (distance) P-C4' energy: -34.591
flat angles C4'-P-C4' energy: -30.889
flat angles P-C4'-P energy: -24.797
tors. eta vs tors. theta energy: -34.810
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: 8
=====================================
Write number: 451
Temperature: 1.200000
Total energy: -342.774263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.774263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.774263 (E_RNA)
where:
Base-Base interactions energy: -224.207
where: short stacking energy: -100.965
Base-Backbone interact. energy: -0.390
local terms energy: -118.177911
where:
bonds (distance) C4'-P energy: -28.293
bonds (distance) P-C4' energy: -30.770
flat angles C4'-P-C4' energy: -28.132
flat angles P-C4'-P energy: -15.636
tors. eta vs tors. theta energy: -15.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 451
Temperature: 1.250000
Total energy: -307.945233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.945233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.945233 (E_RNA)
where:
Base-Base interactions energy: -182.869
where: short stacking energy: -101.454
Base-Backbone interact. energy: -0.036
local terms energy: -125.040679
where:
bonds (distance) C4'-P energy: -32.937
bonds (distance) P-C4' energy: -33.800
flat angles C4'-P-C4' energy: -27.030
flat angles P-C4'-P energy: -18.201
tors. eta vs tors. theta energy: -13.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -255.123925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.123925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.123925 (E_RNA)
where:
Base-Base interactions energy: -129.782
where: short stacking energy: -84.800
Base-Backbone interact. energy: 1.980
local terms energy: -127.322090
where:
bonds (distance) C4'-P energy: -31.314
bonds (distance) P-C4' energy: -34.076
flat angles C4'-P-C4' energy: -27.477
flat angles P-C4'-P energy: -18.447
tors. eta vs tors. theta energy: -16.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -238.144792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.144792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.144792 (E_RNA)
where:
Base-Base interactions energy: -130.545
where: short stacking energy: -72.724
Base-Backbone interact. energy: -1.316
local terms energy: -106.284500
where:
bonds (distance) C4'-P energy: -22.014
bonds (distance) P-C4' energy: -35.611
flat angles C4'-P-C4' energy: -23.058
flat angles P-C4'-P energy: -14.549
tors. eta vs tors. theta energy: -11.052
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: 5
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -546.830874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.830874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.830874 (E_RNA)
where:
Base-Base interactions energy: -362.104
where: short stacking energy: -188.512
Base-Backbone interact. energy: -0.061
local terms energy: -184.666140
where:
bonds (distance) C4'-P energy: -36.098
bonds (distance) P-C4' energy: -32.030
flat angles C4'-P-C4' energy: -36.734
flat angles P-C4'-P energy: -28.993
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: 2, replica: 6
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -551.930112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.930112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.930112 (E_RNA)
where:
Base-Base interactions energy: -373.677
where: short stacking energy: -166.666
Base-Backbone interact. energy: -0.485
local terms energy: -177.767488
where:
bonds (distance) C4'-P energy: -32.577
bonds (distance) P-C4' energy: -37.442
flat angles C4'-P-C4' energy: -37.024
flat angles P-C4'-P energy: -24.821
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: 3, replica: 4
=====================================
Write number: 452
Temperature: 1.000000
Total energy: -501.880525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.880525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.880525 (E_RNA)
where:
Base-Base interactions energy: -361.377
where: short stacking energy: -140.689
Base-Backbone interact. energy: -0.807
local terms energy: -139.696342
where:
bonds (distance) C4'-P energy: -28.857
bonds (distance) P-C4' energy: -25.333
flat angles C4'-P-C4' energy: -28.903
flat angles P-C4'-P energy: -25.702
tors. eta vs tors. theta energy: -30.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -420.170828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.170828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.170828 (E_RNA)
where:
Base-Base interactions energy: -270.681
where: short stacking energy: -137.261
Base-Backbone interact. energy: -0.262
local terms energy: -149.227035
where:
bonds (distance) C4'-P energy: -23.738
bonds (distance) P-C4' energy: -35.421
flat angles C4'-P-C4' energy: -35.751
flat angles P-C4'-P energy: -25.005
tors. eta vs tors. theta energy: -29.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -402.987546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.987546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.987546 (E_RNA)
where:
Base-Base interactions energy: -245.722
where: short stacking energy: -123.604
Base-Backbone interact. energy: -0.648
local terms energy: -156.618002
where:
bonds (distance) C4'-P energy: -31.057
bonds (distance) P-C4' energy: -33.531
flat angles C4'-P-C4' energy: -35.772
flat angles P-C4'-P energy: -24.193
tors. eta vs tors. theta energy: -32.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 452
Temperature: 1.150000
Total energy: -347.763823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.763823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.763823 (E_RNA)
where:
Base-Base interactions energy: -205.991
where: short stacking energy: -106.178
Base-Backbone interact. energy: 1.601
local terms energy: -143.373567
where:
bonds (distance) C4'-P energy: -30.657
bonds (distance) P-C4' energy: -30.866
flat angles C4'-P-C4' energy: -30.143
flat angles P-C4'-P energy: -22.494
tors. eta vs tors. theta energy: -29.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -286.048392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.048392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.048392 (E_RNA)
where:
Base-Base interactions energy: -167.083
where: short stacking energy: -82.782
Base-Backbone interact. energy: -0.332
local terms energy: -118.633203
where:
bonds (distance) C4'-P energy: -25.922
bonds (distance) P-C4' energy: -27.526
flat angles C4'-P-C4' energy: -25.098
flat angles P-C4'-P energy: -25.980
tors. eta vs tors. theta energy: -14.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 452
Temperature: 1.250000
Total energy: -330.108851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.108851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.108851 (E_RNA)
where:
Base-Base interactions energy: -203.993
where: short stacking energy: -97.310
Base-Backbone interact. energy: -0.940
local terms energy: -125.175773
where:
bonds (distance) C4'-P energy: -33.508
bonds (distance) P-C4' energy: -30.554
flat angles C4'-P-C4' energy: -27.169
flat angles P-C4'-P energy: -12.029
tors. eta vs tors. theta energy: -21.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -245.368089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.368089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.368089 (E_RNA)
where:
Base-Base interactions energy: -138.219
where: short stacking energy: -70.337
Base-Backbone interact. energy: 1.983
local terms energy: -109.132315
where:
bonds (distance) C4'-P energy: -33.288
bonds (distance) P-C4' energy: -33.600
flat angles C4'-P-C4' energy: -24.544
flat angles P-C4'-P energy: -18.893
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: 10, replica: 7
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -219.978889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.978889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.978889 (E_RNA)
where:
Base-Base interactions energy: -100.463
where: short stacking energy: -64.704
Base-Backbone interact. energy: -0.370
local terms energy: -119.146403
where:
bonds (distance) C4'-P energy: -30.087
bonds (distance) P-C4' energy: -25.466
flat angles C4'-P-C4' energy: -23.631
flat angles P-C4'-P energy: -19.573
tors. eta vs tors. theta energy: -20.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -564.612199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.612199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.612199 (E_RNA)
where:
Base-Base interactions energy: -365.651
where: short stacking energy: -192.600
Base-Backbone interact. energy: -0.119
local terms energy: -198.841513
where:
bonds (distance) C4'-P energy: -34.035
bonds (distance) P-C4' energy: -34.614
flat angles C4'-P-C4' energy: -41.742
flat angles P-C4'-P energy: -30.580
tors. eta vs tors. theta energy: -57.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 453
Temperature: 0.950000
Total energy: -546.993518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.993518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.993518 (E_RNA)
where:
Base-Base interactions energy: -369.704
where: short stacking energy: -162.387
Base-Backbone interact. energy: -0.245
local terms energy: -177.043905
where:
bonds (distance) C4'-P energy: -35.061
bonds (distance) P-C4' energy: -32.557
flat angles C4'-P-C4' energy: -38.030
flat angles P-C4'-P energy: -26.082
tors. eta vs tors. theta energy: -45.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 453
Temperature: 1.000000
Total energy: -501.981563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.981563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.981563 (E_RNA)
where:
Base-Base interactions energy: -337.288
where: short stacking energy: -152.190
Base-Backbone interact. energy: -0.618
local terms energy: -164.075261
where:
bonds (distance) C4'-P energy: -31.894
bonds (distance) P-C4' energy: -36.522
flat angles C4'-P-C4' energy: -34.092
flat angles P-C4'-P energy: -21.453
tors. eta vs tors. theta energy: -40.113
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: 10
=====================================
Write number: 453
Temperature: 1.050000
Total energy: -456.109648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.109648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.109648 (E_RNA)
where:
Base-Base interactions energy: -292.392
where: short stacking energy: -155.858
Base-Backbone interact. energy: -0.440
local terms energy: -163.277952
where:
bonds (distance) C4'-P energy: -36.390
bonds (distance) P-C4' energy: -31.621
flat angles C4'-P-C4' energy: -36.547
flat angles P-C4'-P energy: -19.997
tors. eta vs tors. theta energy: -38.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 453
Temperature: 1.100000
Total energy: -417.343593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.343593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.343593 (E_RNA)
where:
Base-Base interactions energy: -260.140
where: short stacking energy: -125.633
Base-Backbone interact. energy: -1.372
local terms energy: -155.831760
where:
bonds (distance) C4'-P energy: -34.254
bonds (distance) P-C4' energy: -38.717
flat angles C4'-P-C4' energy: -37.404
flat angles P-C4'-P energy: -16.743
tors. eta vs tors. theta energy: -28.715
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: 2
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -350.906498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.906498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.906498 (E_RNA)
where:
Base-Base interactions energy: -205.457
where: short stacking energy: -107.535
Base-Backbone interact. energy: 0.374
local terms energy: -145.823213
where:
bonds (distance) C4'-P energy: -32.609
bonds (distance) P-C4' energy: -32.406
flat angles C4'-P-C4' energy: -34.394
flat angles P-C4'-P energy: -23.824
tors. eta vs tors. theta energy: -22.590
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: 3
=====================================
Write number: 453
Temperature: 1.200000
Total energy: -331.757451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.757451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.757451 (E_RNA)
where:
Base-Base interactions energy: -191.525
where: short stacking energy: -100.286
Base-Backbone interact. energy: 0.795
local terms energy: -141.027625
where:
bonds (distance) C4'-P energy: -32.896
bonds (distance) P-C4' energy: -29.316
flat angles C4'-P-C4' energy: -35.811
flat angles P-C4'-P energy: -22.179
tors. eta vs tors. theta energy: -20.826
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: 8
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -309.291372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.291372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.291372 (E_RNA)
where:
Base-Base interactions energy: -201.011
where: short stacking energy: -92.973
Base-Backbone interact. energy: -1.065
local terms energy: -107.215398
where:
bonds (distance) C4'-P energy: -32.265
bonds (distance) P-C4' energy: -25.527
flat angles C4'-P-C4' energy: -21.670
flat angles P-C4'-P energy: -15.774
tors. eta vs tors. theta energy: -11.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 453
Temperature: 1.300000
Total energy: -230.215160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.215160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.215160 (E_RNA)
where:
Base-Base interactions energy: -129.950
where: short stacking energy: -81.419
Base-Backbone interact. energy: 2.004
local terms energy: -102.269770
where:
bonds (distance) C4'-P energy: -16.723
bonds (distance) P-C4' energy: -36.183
flat angles C4'-P-C4' energy: -18.801
flat angles P-C4'-P energy: -14.058
tors. eta vs tors. theta energy: -16.505
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: 7
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -227.115593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.115593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.115593 (E_RNA)
where:
Base-Base interactions energy: -112.534
where: short stacking energy: -66.040
Base-Backbone interact. energy: 1.403
local terms energy: -115.984842
where:
bonds (distance) C4'-P energy: -36.969
bonds (distance) P-C4' energy: -33.587
flat angles C4'-P-C4' energy: -27.330
flat angles P-C4'-P energy: -8.308
tors. eta vs tors. theta energy: -9.790
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: 5
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -550.194253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.194253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.194253 (E_RNA)
where:
Base-Base interactions energy: -373.054
where: short stacking energy: -194.528
Base-Backbone interact. energy: -0.053
local terms energy: -177.086764
where:
bonds (distance) C4'-P energy: -29.256
bonds (distance) P-C4' energy: -32.707
flat angles C4'-P-C4' energy: -37.268
flat angles P-C4'-P energy: -27.754
tors. eta vs tors. theta energy: -50.101
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: 6
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -544.213810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.213810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.213810 (E_RNA)
where:
Base-Base interactions energy: -366.382
where: short stacking energy: -152.813
Base-Backbone interact. energy: -0.667
local terms energy: -177.164727
where:
bonds (distance) C4'-P energy: -28.262
bonds (distance) P-C4' energy: -39.210
flat angles C4'-P-C4' energy: -35.173
flat angles P-C4'-P energy: -31.692
tors. eta vs tors. theta energy: -42.827
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: 3, replica: 4
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -495.152354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.152354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.152354 (E_RNA)
where:
Base-Base interactions energy: -343.785
where: short stacking energy: -145.289
Base-Backbone interact. energy: -1.458
local terms energy: -149.910299
where:
bonds (distance) C4'-P energy: -26.648
bonds (distance) P-C4' energy: -38.598
flat angles C4'-P-C4' energy: -33.076
flat angles P-C4'-P energy: -19.921
tors. eta vs tors. theta energy: -31.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -446.954886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.954886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.954886 (E_RNA)
where:
Base-Base interactions energy: -290.109
where: short stacking energy: -144.486
Base-Backbone interact. energy: -0.228
local terms energy: -156.617886
where:
bonds (distance) C4'-P energy: -33.139
bonds (distance) P-C4' energy: -36.981
flat angles C4'-P-C4' energy: -30.719
flat angles P-C4'-P energy: -20.586
tors. eta vs tors. theta energy: -35.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -410.990426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.990426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.990426 (E_RNA)
where:
Base-Base interactions energy: -265.577
where: short stacking energy: -128.055
Base-Backbone interact. energy: -0.525
local terms energy: -144.888475
where:
bonds (distance) C4'-P energy: -33.766
bonds (distance) P-C4' energy: -32.079
flat angles C4'-P-C4' energy: -33.672
flat angles P-C4'-P energy: -21.574
tors. eta vs tors. theta energy: -23.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -368.733842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.733842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.733842 (E_RNA)
where:
Base-Base interactions energy: -230.145
where: short stacking energy: -139.031
Base-Backbone interact. energy: -0.122
local terms energy: -138.466626
where:
bonds (distance) C4'-P energy: -25.888
bonds (distance) P-C4' energy: -19.527
flat angles C4'-P-C4' energy: -35.325
flat angles P-C4'-P energy: -21.219
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: 7, replica: 8
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -339.029215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.029215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.029215 (E_RNA)
where:
Base-Base interactions energy: -208.594
where: short stacking energy: -97.093
Base-Backbone interact. energy: -0.770
local terms energy: -129.665141
where:
bonds (distance) C4'-P energy: -25.703
bonds (distance) P-C4' energy: -30.081
flat angles C4'-P-C4' energy: -36.006
flat angles P-C4'-P energy: -29.033
tors. eta vs tors. theta energy: -8.841
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: 3
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -319.353896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.353896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.353896 (E_RNA)
where:
Base-Base interactions energy: -197.188
where: short stacking energy: -89.140
Base-Backbone interact. energy: -0.361
local terms energy: -121.804861
where:
bonds (distance) C4'-P energy: -33.989
bonds (distance) P-C4' energy: -33.967
flat angles C4'-P-C4' energy: -19.555
flat angles P-C4'-P energy: -16.931
tors. eta vs tors. theta energy: -17.364
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: 9, replica: 1
=====================================
Write number: 454
Temperature: 1.300000
Total energy: -245.747454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.747454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.747454 (E_RNA)
where:
Base-Base interactions energy: -123.429
where: short stacking energy: -78.493
Base-Backbone interact. energy: 1.196
local terms energy: -123.514729
where:
bonds (distance) C4'-P energy: -36.981
bonds (distance) P-C4' energy: -37.869
flat angles C4'-P-C4' energy: -21.414
flat angles P-C4'-P energy: -14.288
tors. eta vs tors. theta energy: -12.963
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: 7
=====================================
Write number: 454
Temperature: 1.350000
Total energy: -219.397506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.397506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.397506 (E_RNA)
where:
Base-Base interactions energy: -113.598
where: short stacking energy: -63.609
Base-Backbone interact. energy: 0.892
local terms energy: -106.691612
where:
bonds (distance) C4'-P energy: -25.481
bonds (distance) P-C4' energy: -32.478
flat angles C4'-P-C4' energy: -28.734
flat angles P-C4'-P energy: -15.154
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: 5
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -553.126855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.126855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.126855 (E_RNA)
where:
Base-Base interactions energy: -362.783
where: short stacking energy: -188.070
Base-Backbone interact. energy: -0.067
local terms energy: -190.276515
where:
bonds (distance) C4'-P energy: -40.313
bonds (distance) P-C4' energy: -35.996
flat angles C4'-P-C4' energy: -36.722
flat angles P-C4'-P energy: -21.458
tors. eta vs tors. theta energy: -55.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 455
Temperature: 0.950000
Total energy: -545.594045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.594045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.594045 (E_RNA)
where:
Base-Base interactions energy: -361.700
where: short stacking energy: -161.270
Base-Backbone interact. energy: -0.546
local terms energy: -183.348181
where:
bonds (distance) C4'-P energy: -38.099
bonds (distance) P-C4' energy: -36.600
flat angles C4'-P-C4' energy: -34.715
flat angles P-C4'-P energy: -28.906
tors. eta vs tors. theta energy: -45.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -495.414463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.414463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.414463 (E_RNA)
where:
Base-Base interactions energy: -333.172
where: short stacking energy: -156.261
Base-Backbone interact. energy: -0.767
local terms energy: -161.474778
where:
bonds (distance) C4'-P energy: -30.330
bonds (distance) P-C4' energy: -27.556
flat angles C4'-P-C4' energy: -37.309
flat angles P-C4'-P energy: -30.325
tors. eta vs tors. theta energy: -35.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -450.934892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.934892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.934892 (E_RNA)
where:
Base-Base interactions energy: -282.105
where: short stacking energy: -138.242
Base-Backbone interact. energy: -0.606
local terms energy: -168.223861
where:
bonds (distance) C4'-P energy: -29.149
bonds (distance) P-C4' energy: -38.141
flat angles C4'-P-C4' energy: -38.298
flat angles P-C4'-P energy: -25.309
tors. eta vs tors. theta energy: -37.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -428.160221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.160221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.160221 (E_RNA)
where:
Base-Base interactions energy: -282.486
where: short stacking energy: -141.350
Base-Backbone interact. energy: -0.432
local terms energy: -145.243051
where:
bonds (distance) C4'-P energy: -30.822
bonds (distance) P-C4' energy: -37.490
flat angles C4'-P-C4' energy: -28.374
flat angles P-C4'-P energy: -16.642
tors. eta vs tors. theta energy: -31.915
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: 2
=====================================
Write number: 455
Temperature: 1.150000
Total energy: -373.269310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.269310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.269310 (E_RNA)
where:
Base-Base interactions energy: -232.082
where: short stacking energy: -104.881
Base-Backbone interact. energy: -0.318
local terms energy: -140.869521
where:
bonds (distance) C4'-P energy: -30.621
bonds (distance) P-C4' energy: -29.816
flat angles C4'-P-C4' energy: -37.054
flat angles P-C4'-P energy: -22.448
tors. eta vs tors. theta energy: -20.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 455
Temperature: 1.200000
Total energy: -350.006303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.006303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.006303 (E_RNA)
where:
Base-Base interactions energy: -220.695
where: short stacking energy: -97.906
Base-Backbone interact. energy: -0.633
local terms energy: -128.677843
where:
bonds (distance) C4'-P energy: -25.831
bonds (distance) P-C4' energy: -31.653
flat angles C4'-P-C4' energy: -33.816
flat angles P-C4'-P energy: -21.315
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: 8, replica: 3
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -333.762713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.762713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.762713 (E_RNA)
where:
Base-Base interactions energy: -204.906
where: short stacking energy: -104.502
Base-Backbone interact. energy: -0.155
local terms energy: -128.701861
where:
bonds (distance) C4'-P energy: -25.518
bonds (distance) P-C4' energy: -29.918
flat angles C4'-P-C4' energy: -35.117
flat angles P-C4'-P energy: -20.705
tors. eta vs tors. theta energy: -17.444
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: 9, replica: 1
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -238.304007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.304007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.304007 (E_RNA)
where:
Base-Base interactions energy: -129.724
where: short stacking energy: -78.640
Base-Backbone interact. energy: -1.121
local terms energy: -107.458917
where:
bonds (distance) C4'-P energy: -29.019
bonds (distance) P-C4' energy: -36.926
flat angles C4'-P-C4' energy: -20.785
flat angles P-C4'-P energy: -13.805
tors. eta vs tors. theta energy: -6.924
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: 455
Temperature: 1.350000
Total energy: -224.145451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.145451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.145451 (E_RNA)
where:
Base-Base interactions energy: -125.539
where: short stacking energy: -65.133
Base-Backbone interact. energy: -1.107
local terms energy: -97.499624
where:
bonds (distance) C4'-P energy: -29.476
bonds (distance) P-C4' energy: -24.678
flat angles C4'-P-C4' energy: -24.681
flat angles P-C4'-P energy: -18.745
tors. eta vs tors. theta energy: 0.081
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: 5
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -549.084076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.084076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.084076 (E_RNA)
where:
Base-Base interactions energy: -352.632
where: short stacking energy: -176.000
Base-Backbone interact. energy: -0.100
local terms energy: -196.352737
where:
bonds (distance) C4'-P energy: -38.300
bonds (distance) P-C4' energy: -39.360
flat angles C4'-P-C4' energy: -43.049
flat angles P-C4'-P energy: -25.840
tors. eta vs tors. theta energy: -49.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -522.677544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.677544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.677544 (E_RNA)
where:
Base-Base interactions energy: -356.909
where: short stacking energy: -165.019
Base-Backbone interact. energy: -1.260
local terms energy: -164.507865
where:
bonds (distance) C4'-P energy: -30.718
bonds (distance) P-C4' energy: -35.548
flat angles C4'-P-C4' energy: -34.276
flat angles P-C4'-P energy: -26.985
tors. eta vs tors. theta energy: -36.981
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: 4
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -495.073472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.073472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.073472 (E_RNA)
where:
Base-Base interactions energy: -334.444
where: short stacking energy: -155.968
Base-Backbone interact. energy: -0.980
local terms energy: -159.649766
where:
bonds (distance) C4'-P energy: -32.229
bonds (distance) P-C4' energy: -31.105
flat angles C4'-P-C4' energy: -33.382
flat angles P-C4'-P energy: -20.860
tors. eta vs tors. theta energy: -42.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -458.427784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.427784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.427784 (E_RNA)
where:
Base-Base interactions energy: -294.500
where: short stacking energy: -137.663
Base-Backbone interact. energy: -0.814
local terms energy: -163.113686
where:
bonds (distance) C4'-P energy: -32.657
bonds (distance) P-C4' energy: -36.575
flat angles C4'-P-C4' energy: -33.871
flat angles P-C4'-P energy: -20.203
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: 5, replica: 10
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -458.214044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.214044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.214044 (E_RNA)
where:
Base-Base interactions energy: -306.427
where: short stacking energy: -163.586
Base-Backbone interact. energy: -0.122
local terms energy: -151.665517
where:
bonds (distance) C4'-P energy: -24.176
bonds (distance) P-C4' energy: -30.435
flat angles C4'-P-C4' energy: -34.657
flat angles P-C4'-P energy: -21.149
tors. eta vs tors. theta energy: -41.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -368.816571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.816571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.816571 (E_RNA)
where:
Base-Base interactions energy: -244.662
where: short stacking energy: -117.806
Base-Backbone interact. energy: -0.347
local terms energy: -123.807752
where:
bonds (distance) C4'-P energy: -16.055
bonds (distance) P-C4' energy: -29.997
flat angles C4'-P-C4' energy: -32.987
flat angles P-C4'-P energy: -18.295
tors. eta vs tors. theta energy: -26.474
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: 8
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -332.587733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.587733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.587733 (E_RNA)
where:
Base-Base interactions energy: -194.692
where: short stacking energy: -97.644
Base-Backbone interact. energy: -0.912
local terms energy: -136.983577
where:
bonds (distance) C4'-P energy: -33.231
bonds (distance) P-C4' energy: -31.596
flat angles C4'-P-C4' energy: -30.516
flat angles P-C4'-P energy: -24.168
tors. eta vs tors. theta energy: -17.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -300.170594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.170594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.170594 (E_RNA)
where:
Base-Base interactions energy: -184.414
where: short stacking energy: -91.102
Base-Backbone interact. energy: -0.197
local terms energy: -115.559987
where:
bonds (distance) C4'-P energy: -25.853
bonds (distance) P-C4' energy: -19.543
flat angles C4'-P-C4' energy: -25.985
flat angles P-C4'-P energy: -25.575
tors. eta vs tors. theta energy: -18.604
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: 1
=====================================
Write number: 456
Temperature: 1.300000
Total energy: -241.989147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.989147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.989147 (E_RNA)
where:
Base-Base interactions energy: -133.544
where: short stacking energy: -73.448
Base-Backbone interact. energy: 0.631
local terms energy: -109.075522
where:
bonds (distance) C4'-P energy: -15.810
bonds (distance) P-C4' energy: -35.593
flat angles C4'-P-C4' energy: -28.773
flat angles P-C4'-P energy: -23.574
tors. eta vs tors. theta energy: -5.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -228.155338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.155338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.155338 (E_RNA)
where:
Base-Base interactions energy: -121.063
where: short stacking energy: -72.229
Base-Backbone interact. energy: 1.758
local terms energy: -108.850257
where:
bonds (distance) C4'-P energy: -28.714
bonds (distance) P-C4' energy: -29.132
flat angles C4'-P-C4' energy: -31.374
flat angles P-C4'-P energy: -11.003
tors. eta vs tors. theta energy: -8.628
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: 1, replica: 5
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -559.550329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.550329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.550329 (E_RNA)
where:
Base-Base interactions energy: -370.317
where: short stacking energy: -184.477
Base-Backbone interact. energy: -0.126
local terms energy: -189.107358
where:
bonds (distance) C4'-P energy: -33.514
bonds (distance) P-C4' energy: -34.830
flat angles C4'-P-C4' energy: -38.667
flat angles P-C4'-P energy: -28.039
tors. eta vs tors. theta energy: -54.057
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: 4
=====================================
Write number: 457
Temperature: 0.950000
Total energy: -524.724560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.724560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.724560 (E_RNA)
where:
Base-Base interactions energy: -349.474
where: short stacking energy: -154.257
Base-Backbone interact. energy: -0.493
local terms energy: -174.758017
where:
bonds (distance) C4'-P energy: -39.268
bonds (distance) P-C4' energy: -35.490
flat angles C4'-P-C4' energy: -34.708
flat angles P-C4'-P energy: -27.250
tors. eta vs tors. theta energy: -38.042
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: 6
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -480.632457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.632457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.632457 (E_RNA)
where:
Base-Base interactions energy: -317.333
where: short stacking energy: -159.733
Base-Backbone interact. energy: -0.519
local terms energy: -162.780530
where:
bonds (distance) C4'-P energy: -28.118
bonds (distance) P-C4' energy: -33.176
flat angles C4'-P-C4' energy: -32.780
flat angles P-C4'-P energy: -24.429
tors. eta vs tors. theta energy: -44.277
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: 10
=====================================
Write number: 457
Temperature: 1.050000
Total energy: -454.216567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.216567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.216567 (E_RNA)
where:
Base-Base interactions energy: -293.601
where: short stacking energy: -156.902
Base-Backbone interact. energy: -0.205
local terms energy: -160.409918
where:
bonds (distance) C4'-P energy: -33.482
bonds (distance) P-C4' energy: -25.776
flat angles C4'-P-C4' energy: -35.710
flat angles P-C4'-P energy: -26.927
tors. eta vs tors. theta energy: -38.515
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: 9
=====================================
Write number: 457
Temperature: 1.100000
Total energy: -434.128428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.128428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.128428 (E_RNA)
where:
Base-Base interactions energy: -275.155
where: short stacking energy: -114.144
Base-Backbone interact. energy: -0.801
local terms energy: -158.172288
where:
bonds (distance) C4'-P energy: -36.228
bonds (distance) P-C4' energy: -33.802
flat angles C4'-P-C4' energy: -25.782
flat angles P-C4'-P energy: -23.720
tors. eta vs tors. theta energy: -38.640
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: 2
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -367.657362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.657362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.657362 (E_RNA)
where:
Base-Base interactions energy: -227.708
where: short stacking energy: -111.296
Base-Backbone interact. energy: -0.674
local terms energy: -139.275458
where:
bonds (distance) C4'-P energy: -31.541
bonds (distance) P-C4' energy: -30.190
flat angles C4'-P-C4' energy: -33.793
flat angles P-C4'-P energy: -22.136
tors. eta vs tors. theta energy: -21.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -327.666423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.666423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.666423 (E_RNA)
where:
Base-Base interactions energy: -193.002
where: short stacking energy: -95.417
Base-Backbone interact. energy: 0.374
local terms energy: -135.037708
where:
bonds (distance) C4'-P energy: -35.919
bonds (distance) P-C4' energy: -23.616
flat angles C4'-P-C4' energy: -36.592
flat angles P-C4'-P energy: -21.537
tors. eta vs tors. theta energy: -17.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -269.911753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.911753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.911753 (E_RNA)
where:
Base-Base interactions energy: -142.096
where: short stacking energy: -68.169
Base-Backbone interact. energy: -1.005
local terms energy: -126.810509
where:
bonds (distance) C4'-P energy: -34.769
bonds (distance) P-C4' energy: -34.540
flat angles C4'-P-C4' energy: -30.855
flat angles P-C4'-P energy: -17.762
tors. eta vs tors. theta energy: -8.885
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: 3
=====================================
Write number: 457
Temperature: 1.300000
Total energy: -307.574358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.574358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.574358 (E_RNA)
where:
Base-Base interactions energy: -188.502
where: short stacking energy: -97.708
Base-Backbone interact. energy: -0.388
local terms energy: -118.684726
where:
bonds (distance) C4'-P energy: -32.552
bonds (distance) P-C4' energy: -32.363
flat angles C4'-P-C4' energy: -34.717
flat angles P-C4'-P energy: -10.376
tors. eta vs tors. theta energy: -8.677
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: 10, replica: 7
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -236.778808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.778808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.778808 (E_RNA)
where:
Base-Base interactions energy: -131.846
where: short stacking energy: -71.426
Base-Backbone interact. energy: 0.303
local terms energy: -105.236365
where:
bonds (distance) C4'-P energy: -24.713
bonds (distance) P-C4' energy: -31.825
flat angles C4'-P-C4' energy: -25.966
flat angles P-C4'-P energy: -16.739
tors. eta vs tors. theta energy: -5.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 458
Temperature: 0.900000
Total energy: -559.253569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.253569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.253569 (E_RNA)
where:
Base-Base interactions energy: -372.981
where: short stacking energy: -180.389
Base-Backbone interact. energy: 0.221
local terms energy: -186.492846
where:
bonds (distance) C4'-P energy: -34.559
bonds (distance) P-C4' energy: -34.186
flat angles C4'-P-C4' energy: -42.350
flat angles P-C4'-P energy: -23.697
tors. eta vs tors. theta energy: -51.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -512.817535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.817535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.817535 (E_RNA)
where:
Base-Base interactions energy: -344.282
where: short stacking energy: -161.622
Base-Backbone interact. energy: -0.547
local terms energy: -167.988458
where:
bonds (distance) C4'-P energy: -35.794
bonds (distance) P-C4' energy: -33.407
flat angles C4'-P-C4' energy: -34.947
flat angles P-C4'-P energy: -24.982
tors. eta vs tors. theta energy: -38.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -482.714637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.714637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.714637 (E_RNA)
where:
Base-Base interactions energy: -339.226
where: short stacking energy: -143.858
Base-Backbone interact. energy: -0.652
local terms energy: -142.836162
where:
bonds (distance) C4'-P energy: -25.967
bonds (distance) P-C4' energy: -33.402
flat angles C4'-P-C4' energy: -34.442
flat angles P-C4'-P energy: -17.430
tors. eta vs tors. theta energy: -31.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -450.388596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.388596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.388596 (E_RNA)
where:
Base-Base interactions energy: -294.235
where: short stacking energy: -149.444
Base-Backbone interact. energy: 0.051
local terms energy: -156.204146
where:
bonds (distance) C4'-P energy: -32.746
bonds (distance) P-C4' energy: -27.569
flat angles C4'-P-C4' energy: -32.233
flat angles P-C4'-P energy: -22.975
tors. eta vs tors. theta energy: -40.681
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: 458
Temperature: 1.100000
Total energy: -434.751552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.751552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.751552 (E_RNA)
where:
Base-Base interactions energy: -276.822
where: short stacking energy: -129.409
Base-Backbone interact. energy: -0.501
local terms energy: -157.429091
where:
bonds (distance) C4'-P energy: -38.022
bonds (distance) P-C4' energy: -29.150
flat angles C4'-P-C4' energy: -36.317
flat angles P-C4'-P energy: -21.536
tors. eta vs tors. theta energy: -32.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 458
Temperature: 1.150000
Total energy: -359.957046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.957046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.957046 (E_RNA)
where:
Base-Base interactions energy: -237.313
where: short stacking energy: -117.797
Base-Backbone interact. energy: 0.536
local terms energy: -123.179981
where:
bonds (distance) C4'-P energy: -27.054
bonds (distance) P-C4' energy: -30.414
flat angles C4'-P-C4' energy: -26.830
flat angles P-C4'-P energy: -15.087
tors. eta vs tors. theta energy: -23.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -343.295415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.295415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.295415 (E_RNA)
where:
Base-Base interactions energy: -216.543
where: short stacking energy: -108.717
Base-Backbone interact. energy: -1.124
local terms energy: -125.628869
where:
bonds (distance) C4'-P energy: -34.386
bonds (distance) P-C4' energy: -37.494
flat angles C4'-P-C4' energy: -21.929
flat angles P-C4'-P energy: -15.248
tors. eta vs tors. theta energy: -16.572
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: 1
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -257.068868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.068868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.068868 (E_RNA)
where:
Base-Base interactions energy: -141.572
where: short stacking energy: -86.487
Base-Backbone interact. energy: 0.075
local terms energy: -115.572092
where:
bonds (distance) C4'-P energy: -22.827
bonds (distance) P-C4' energy: -30.978
flat angles C4'-P-C4' energy: -31.094
flat angles P-C4'-P energy: -16.385
tors. eta vs tors. theta energy: -14.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 458
Temperature: 1.300000
Total energy: -250.709577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.709577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.709577 (E_RNA)
where:
Base-Base interactions energy: -139.173
where: short stacking energy: -96.293
Base-Backbone interact. energy: 0.551
local terms energy: -112.087792
where:
bonds (distance) C4'-P energy: -31.563
bonds (distance) P-C4' energy: -22.028
flat angles C4'-P-C4' energy: -26.069
flat angles P-C4'-P energy: -23.261
tors. eta vs tors. theta energy: -9.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -288.175748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.175748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.175748 (E_RNA)
where:
Base-Base interactions energy: -169.515
where: short stacking energy: -87.332
Base-Backbone interact. energy: -1.284
local terms energy: -117.377405
where:
bonds (distance) C4'-P energy: -29.791
bonds (distance) P-C4' energy: -31.457
flat angles C4'-P-C4' energy: -20.579
flat angles P-C4'-P energy: -17.042
tors. eta vs tors. theta energy: -18.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 459
Temperature: 0.900000
Total energy: -561.015271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.015271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.015271 (E_RNA)
where:
Base-Base interactions energy: -370.688
where: short stacking energy: -176.828
Base-Backbone interact. energy: -0.161
local terms energy: -190.165487
where:
bonds (distance) C4'-P energy: -35.539
bonds (distance) P-C4' energy: -35.218
flat angles C4'-P-C4' energy: -40.265
flat angles P-C4'-P energy: -28.439
tors. eta vs tors. theta energy: -50.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -525.791804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.791804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.791804 (E_RNA)
where:
Base-Base interactions energy: -355.855
where: short stacking energy: -162.785
Base-Backbone interact. energy: -0.714
local terms energy: -169.222707
where:
bonds (distance) C4'-P energy: -29.040
bonds (distance) P-C4' energy: -35.017
flat angles C4'-P-C4' energy: -34.003
flat angles P-C4'-P energy: -23.177
tors. eta vs tors. theta energy: -47.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 459
Temperature: 1.000000
Total energy: -466.536822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.536822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.536822 (E_RNA)
where:
Base-Base interactions energy: -308.467
where: short stacking energy: -151.999
Base-Backbone interact. energy: 0.076
local terms energy: -158.146554
where:
bonds (distance) C4'-P energy: -26.981
bonds (distance) P-C4' energy: -36.043
flat angles C4'-P-C4' energy: -36.464
flat angles P-C4'-P energy: -23.468
tors. eta vs tors. theta energy: -35.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -448.142596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.142596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.142596 (E_RNA)
where:
Base-Base interactions energy: -277.305
where: short stacking energy: -139.503
Base-Backbone interact. energy: 0.013
local terms energy: -170.850166
where:
bonds (distance) C4'-P energy: -32.974
bonds (distance) P-C4' energy: -32.393
flat angles C4'-P-C4' energy: -37.861
flat angles P-C4'-P energy: -27.049
tors. eta vs tors. theta energy: -40.573
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: 5, replica: 9
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -400.043447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.043447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.043447 (E_RNA)
where:
Base-Base interactions energy: -253.917
where: short stacking energy: -122.563
Base-Backbone interact. energy: -1.325
local terms energy: -144.801321
where:
bonds (distance) C4'-P energy: -38.092
bonds (distance) P-C4' energy: -23.432
flat angles C4'-P-C4' energy: -32.144
flat angles P-C4'-P energy: -19.482
tors. eta vs tors. theta energy: -31.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 459
Temperature: 1.150000
Total energy: -339.959542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.959542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.959542 (E_RNA)
where:
Base-Base interactions energy: -208.179
where: short stacking energy: -112.063
Base-Backbone interact. energy: -0.610
local terms energy: -131.170993
where:
bonds (distance) C4'-P energy: -25.621
bonds (distance) P-C4' energy: -30.834
flat angles C4'-P-C4' energy: -29.656
flat angles P-C4'-P energy: -19.662
tors. eta vs tors. theta energy: -25.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -306.191047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.191047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.191047 (E_RNA)
where:
Base-Base interactions energy: -179.912
where: short stacking energy: -92.464
Base-Backbone interact. energy: 3.681
local terms energy: -129.959914
where:
bonds (distance) C4'-P energy: -28.268
bonds (distance) P-C4' energy: -36.327
flat angles C4'-P-C4' energy: -35.752
flat angles P-C4'-P energy: -15.902
tors. eta vs tors. theta energy: -13.711
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: 8, replica: 7
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -252.962291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.962291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.962291 (E_RNA)
where:
Base-Base interactions energy: -142.776
where: short stacking energy: -81.437
Base-Backbone interact. energy: 0.968
local terms energy: -111.154644
where:
bonds (distance) C4'-P energy: -22.145
bonds (distance) P-C4' energy: -30.457
flat angles C4'-P-C4' energy: -31.891
flat angles P-C4'-P energy: -15.764
tors. eta vs tors. theta energy: -10.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -238.654766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.654766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.654766 (E_RNA)
where:
Base-Base interactions energy: -120.547
where: short stacking energy: -71.988
Base-Backbone interact. energy: -0.930
local terms energy: -117.178305
where:
bonds (distance) C4'-P energy: -30.275
bonds (distance) P-C4' energy: -32.294
flat angles C4'-P-C4' energy: -22.978
flat angles P-C4'-P energy: -20.494
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: 3
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -310.744985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.744985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.744985 (E_RNA)
where:
Base-Base interactions energy: -194.695
where: short stacking energy: -96.870
Base-Backbone interact. energy: -0.687
local terms energy: -115.362827
where:
bonds (distance) C4'-P energy: -32.668
bonds (distance) P-C4' energy: -30.972
flat angles C4'-P-C4' energy: -25.495
flat angles P-C4'-P energy: -7.495
tors. eta vs tors. theta energy: -18.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -540.216465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.216465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.216465 (E_RNA)
where:
Base-Base interactions energy: -366.730
where: short stacking energy: -172.852
Base-Backbone interact. energy: -0.022
local terms energy: -173.463893
where:
bonds (distance) C4'-P energy: -34.754
bonds (distance) P-C4' energy: -30.680
flat angles C4'-P-C4' energy: -33.315
flat angles P-C4'-P energy: -24.944
tors. eta vs tors. theta energy: -49.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 460
Temperature: 0.950000
Total energy: -531.627417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.627417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.627417 (E_RNA)
where:
Base-Base interactions energy: -361.244
where: short stacking energy: -151.469
Base-Backbone interact. energy: -0.797
local terms energy: -169.586695
where:
bonds (distance) C4'-P energy: -33.839
bonds (distance) P-C4' energy: -33.261
flat angles C4'-P-C4' energy: -38.068
flat angles P-C4'-P energy: -27.317
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: 3, replica: 10
=====================================
Write number: 460
Temperature: 1.000000
Total energy: -475.366929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.366929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.366929 (E_RNA)
where:
Base-Base interactions energy: -311.630
where: short stacking energy: -153.268
Base-Backbone interact. energy: -0.071
local terms energy: -163.665732
where:
bonds (distance) C4'-P energy: -30.585
bonds (distance) P-C4' energy: -28.531
flat angles C4'-P-C4' energy: -32.156
flat angles P-C4'-P energy: -24.903
tors. eta vs tors. theta energy: -47.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 460
Temperature: 1.050000
Total energy: -464.909020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.909020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.909020 (E_RNA)
where:
Base-Base interactions energy: -303.962
where: short stacking energy: -150.067
Base-Backbone interact. energy: -0.614
local terms energy: -160.332857
where:
bonds (distance) C4'-P energy: -26.944
bonds (distance) P-C4' energy: -35.004
flat angles C4'-P-C4' energy: -28.211
flat angles P-C4'-P energy: -24.254
tors. eta vs tors. theta energy: -45.920
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: 5, replica: 9
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -410.956759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.956759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.956759 (E_RNA)
where:
Base-Base interactions energy: -243.111
where: short stacking energy: -121.401
Base-Backbone interact. energy: -0.613
local terms energy: -167.233221
where:
bonds (distance) C4'-P energy: -34.721
bonds (distance) P-C4' energy: -34.023
flat angles C4'-P-C4' energy: -35.370
flat angles P-C4'-P energy: -24.620
tors. eta vs tors. theta energy: -38.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -330.290277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.290277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.290277 (E_RNA)
where:
Base-Base interactions energy: -204.014
where: short stacking energy: -100.066
Base-Backbone interact. energy: -1.308
local terms energy: -124.968190
where:
bonds (distance) C4'-P energy: -30.920
bonds (distance) P-C4' energy: -25.044
flat angles C4'-P-C4' energy: -34.477
flat angles P-C4'-P energy: -17.834
tors. eta vs tors. theta energy: -16.693
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: 7, replica: 7
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -264.129970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.129970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.129970 (E_RNA)
where:
Base-Base interactions energy: -147.690
where: short stacking energy: -99.648
Base-Backbone interact. energy: -0.391
local terms energy: -116.049330
where:
bonds (distance) C4'-P energy: -25.172
bonds (distance) P-C4' energy: -33.373
flat angles C4'-P-C4' energy: -24.076
flat angles P-C4'-P energy: -15.511
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: 8, replica: 8
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -312.676623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.676623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.676623 (E_RNA)
where:
Base-Base interactions energy: -186.107
where: short stacking energy: -92.868
Base-Backbone interact. energy: -0.965
local terms energy: -125.604955
where:
bonds (distance) C4'-P energy: -30.947
bonds (distance) P-C4' energy: -34.665
flat angles C4'-P-C4' energy: -27.427
flat angles P-C4'-P energy: -16.973
tors. eta vs tors. theta energy: -15.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -309.583190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.583190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.583190 (E_RNA)
where:
Base-Base interactions energy: -191.510
where: short stacking energy: -91.045
Base-Backbone interact. energy: -1.110
local terms energy: -116.962973
where:
bonds (distance) C4'-P energy: -25.203
bonds (distance) P-C4' energy: -26.249
flat angles C4'-P-C4' energy: -32.862
flat angles P-C4'-P energy: -17.204
tors. eta vs tors. theta energy: -15.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 460
Temperature: 1.350000
Total energy: -236.248126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.248126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.248126 (E_RNA)
where:
Base-Base interactions energy: -116.928
where: short stacking energy: -68.470
Base-Backbone interact. energy: -0.634
local terms energy: -118.685743
where:
bonds (distance) C4'-P energy: -33.931
bonds (distance) P-C4' energy: -33.463
flat angles C4'-P-C4' energy: -32.184
flat angles P-C4'-P energy: -12.243
tors. eta vs tors. theta energy: -6.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -555.480290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.480290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.480290 (E_RNA)
where:
Base-Base interactions energy: -362.918
where: short stacking energy: -185.479
Base-Backbone interact. energy: -0.233
local terms energy: -192.329509
where:
bonds (distance) C4'-P energy: -39.770
bonds (distance) P-C4' energy: -34.339
flat angles C4'-P-C4' energy: -35.472
flat angles P-C4'-P energy: -31.697
tors. eta vs tors. theta energy: -51.052
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: 4
=====================================
Write number: 461
Temperature: 0.950000
Total energy: -532.215468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.215468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.215468 (E_RNA)
where:
Base-Base interactions energy: -354.789
where: short stacking energy: -156.328
Base-Backbone interact. energy: -2.289
local terms energy: -175.137505
where:
bonds (distance) C4'-P energy: -34.543
bonds (distance) P-C4' energy: -38.054
flat angles C4'-P-C4' energy: -40.457
flat angles P-C4'-P energy: -21.724
tors. eta vs tors. theta energy: -40.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 461
Temperature: 1.000000
Total energy: -477.838197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.838197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.838197 (E_RNA)
where:
Base-Base interactions energy: -292.823
where: short stacking energy: -161.310
Base-Backbone interact. energy: 1.165
local terms energy: -186.179796
where:
bonds (distance) C4'-P energy: -33.500
bonds (distance) P-C4' energy: -34.687
flat angles C4'-P-C4' energy: -38.308
flat angles P-C4'-P energy: -28.971
tors. eta vs tors. theta energy: -50.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -449.414267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.414267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.414267 (E_RNA)
where:
Base-Base interactions energy: -299.114
where: short stacking energy: -138.423
Base-Backbone interact. energy: -0.288
local terms energy: -150.012975
where:
bonds (distance) C4'-P energy: -24.020
bonds (distance) P-C4' energy: -30.605
flat angles C4'-P-C4' energy: -37.359
flat angles P-C4'-P energy: -25.812
tors. eta vs tors. theta energy: -32.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -417.772330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.772330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.772330 (E_RNA)
where:
Base-Base interactions energy: -270.089
where: short stacking energy: -133.484
Base-Backbone interact. energy: 1.580
local terms energy: -149.263592
where:
bonds (distance) C4'-P energy: -31.909
bonds (distance) P-C4' energy: -36.369
flat angles C4'-P-C4' energy: -36.684
flat angles P-C4'-P energy: -14.970
tors. eta vs tors. theta energy: -29.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -369.083196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.083196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.083196 (E_RNA)
where:
Base-Base interactions energy: -234.293
where: short stacking energy: -133.877
Base-Backbone interact. energy: -1.414
local terms energy: -133.375990
where:
bonds (distance) C4'-P energy: -29.285
bonds (distance) P-C4' energy: -34.224
flat angles C4'-P-C4' energy: -27.672
flat angles P-C4'-P energy: -19.731
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: 7
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -263.152833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.152833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.152833 (E_RNA)
where:
Base-Base interactions energy: -131.165
where: short stacking energy: -86.463
Base-Backbone interact. energy: -0.096
local terms energy: -131.892011
where:
bonds (distance) C4'-P energy: -27.569
bonds (distance) P-C4' energy: -33.906
flat angles C4'-P-C4' energy: -24.592
flat angles P-C4'-P energy: -18.837
tors. eta vs tors. theta energy: -26.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -313.376267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.376267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.376267 (E_RNA)
where:
Base-Base interactions energy: -201.732
where: short stacking energy: -85.779
Base-Backbone interact. energy: 0.547
local terms energy: -112.190841
where:
bonds (distance) C4'-P energy: -27.009
bonds (distance) P-C4' energy: -30.790
flat angles C4'-P-C4' energy: -26.578
flat angles P-C4'-P energy: -13.640
tors. eta vs tors. theta energy: -14.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -291.903906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.903906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.903906 (E_RNA)
where:
Base-Base interactions energy: -179.437
where: short stacking energy: -79.009
Base-Backbone interact. energy: -0.928
local terms energy: -111.539427
where:
bonds (distance) C4'-P energy: -25.587
bonds (distance) P-C4' energy: -29.036
flat angles C4'-P-C4' energy: -37.008
flat angles P-C4'-P energy: -11.555
tors. eta vs tors. theta energy: -8.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 461
Temperature: 1.350000
Total energy: -214.162821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.162821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.162821 (E_RNA)
where:
Base-Base interactions energy: -98.449
where: short stacking energy: -54.950
Base-Backbone interact. energy: 0.051
local terms energy: -115.765173
where:
bonds (distance) C4'-P energy: -20.172
bonds (distance) P-C4' energy: -29.902
flat angles C4'-P-C4' energy: -35.168
flat angles P-C4'-P energy: -20.697
tors. eta vs tors. theta energy: -9.826
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: 5
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -553.444598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.444598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.444598 (E_RNA)
where:
Base-Base interactions energy: -370.436
where: short stacking energy: -199.935
Base-Backbone interact. energy: -0.128
local terms energy: -182.880399
where:
bonds (distance) C4'-P energy: -31.253
bonds (distance) P-C4' energy: -29.835
flat angles C4'-P-C4' energy: -39.888
flat angles P-C4'-P energy: -26.785
tors. eta vs tors. theta energy: -55.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -534.727946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.727946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.727946 (E_RNA)
where:
Base-Base interactions energy: -367.812
where: short stacking energy: -160.431
Base-Backbone interact. energy: -0.672
local terms energy: -166.244466
where:
bonds (distance) C4'-P energy: -30.686
bonds (distance) P-C4' energy: -35.462
flat angles C4'-P-C4' energy: -34.907
flat angles P-C4'-P energy: -24.383
tors. eta vs tors. theta energy: -40.807
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: 3, replica: 6
=====================================
Write number: 462
Temperature: 1.000000
Total energy: -488.390724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.390724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.390724 (E_RNA)
where:
Base-Base interactions energy: -326.210
where: short stacking energy: -161.263
Base-Backbone interact. energy: 0.973
local terms energy: -163.153892
where:
bonds (distance) C4'-P energy: -26.293
bonds (distance) P-C4' energy: -37.462
flat angles C4'-P-C4' energy: -35.082
flat angles P-C4'-P energy: -21.767
tors. eta vs tors. theta energy: -42.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -431.468358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.468358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.468358 (E_RNA)
where:
Base-Base interactions energy: -276.682
where: short stacking energy: -138.811
Base-Backbone interact. energy: 2.320
local terms energy: -157.106697
where:
bonds (distance) C4'-P energy: -36.221
bonds (distance) P-C4' energy: -23.422
flat angles C4'-P-C4' energy: -40.597
flat angles P-C4'-P energy: -21.148
tors. eta vs tors. theta energy: -35.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 462
Temperature: 1.100000
Total energy: -371.468453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.468453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.468453 (E_RNA)
where:
Base-Base interactions energy: -226.221
where: short stacking energy: -123.266
Base-Backbone interact. energy: 0.240
local terms energy: -145.487372
where:
bonds (distance) C4'-P energy: -27.947
bonds (distance) P-C4' energy: -35.402
flat angles C4'-P-C4' energy: -31.456
flat angles P-C4'-P energy: -24.532
tors. eta vs tors. theta energy: -26.150
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: 9
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -392.127750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.127750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.127750 (E_RNA)
where:
Base-Base interactions energy: -261.292
where: short stacking energy: -115.143
Base-Backbone interact. energy: -0.646
local terms energy: -130.189587
where:
bonds (distance) C4'-P energy: -27.123
bonds (distance) P-C4' energy: -29.267
flat angles C4'-P-C4' energy: -27.416
flat angles P-C4'-P energy: -22.632
tors. eta vs tors. theta energy: -23.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 462
Temperature: 1.200000
Total energy: -341.809604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.809604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.809604 (E_RNA)
where:
Base-Base interactions energy: -211.101
where: short stacking energy: -91.571
Base-Backbone interact. energy: -0.698
local terms energy: -130.010070
where:
bonds (distance) C4'-P energy: -30.531
bonds (distance) P-C4' energy: -32.477
flat angles C4'-P-C4' energy: -29.489
flat angles P-C4'-P energy: -24.143
tors. eta vs tors. theta energy: -13.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -252.576323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.576323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.576323 (E_RNA)
where:
Base-Base interactions energy: -142.531
where: short stacking energy: -87.093
Base-Backbone interact. energy: -0.591
local terms energy: -109.454087
where:
bonds (distance) C4'-P energy: -15.009
bonds (distance) P-C4' energy: -36.639
flat angles C4'-P-C4' energy: -25.480
flat angles P-C4'-P energy: -19.096
tors. eta vs tors. theta energy: -13.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 462
Temperature: 1.300000
Total energy: -293.178135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.178135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.178135 (E_RNA)
where:
Base-Base interactions energy: -175.501
where: short stacking energy: -82.698
Base-Backbone interact. energy: 0.215
local terms energy: -117.892443
where:
bonds (distance) C4'-P energy: -35.954
bonds (distance) P-C4' energy: -35.059
flat angles C4'-P-C4' energy: -18.955
flat angles P-C4'-P energy: -11.524
tors. eta vs tors. theta energy: -16.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -229.334741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.334741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.334741 (E_RNA)
where:
Base-Base interactions energy: -117.143
where: short stacking energy: -69.762
Base-Backbone interact. energy: -1.241
local terms energy: -110.950020
where:
bonds (distance) C4'-P energy: -25.982
bonds (distance) P-C4' energy: -32.086
flat angles C4'-P-C4' energy: -28.687
flat angles P-C4'-P energy: -14.604
tors. eta vs tors. theta energy: -9.591
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: 1, replica: 5
=====================================
Write number: 463
Temperature: 0.900000
Total energy: -553.306290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.306290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.306290 (E_RNA)
where:
Base-Base interactions energy: -370.200
where: short stacking energy: -185.784
Base-Backbone interact. energy: -0.229
local terms energy: -182.877948
where:
bonds (distance) C4'-P energy: -33.482
bonds (distance) P-C4' energy: -31.987
flat angles C4'-P-C4' energy: -35.790
flat angles P-C4'-P energy: -31.463
tors. eta vs tors. theta energy: -50.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 463
Temperature: 0.950000
Total energy: -524.818133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.818133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.818133 (E_RNA)
where:
Base-Base interactions energy: -347.852
where: short stacking energy: -163.172
Base-Backbone interact. energy: -0.419
local terms energy: -176.546734
where:
bonds (distance) C4'-P energy: -34.924
bonds (distance) P-C4' energy: -35.272
flat angles C4'-P-C4' energy: -37.854
flat angles P-C4'-P energy: -25.581
tors. eta vs tors. theta energy: -42.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 463
Temperature: 1.000000
Total energy: -482.672709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.672709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.672709 (E_RNA)
where:
Base-Base interactions energy: -314.175
where: short stacking energy: -152.027
Base-Backbone interact. energy: -0.792
local terms energy: -167.706387
where:
bonds (distance) C4'-P energy: -35.132
bonds (distance) P-C4' energy: -31.407
flat angles C4'-P-C4' energy: -29.756
flat angles P-C4'-P energy: -28.294
tors. eta vs tors. theta energy: -43.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 463
Temperature: 1.050000
Total energy: -409.007014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.007014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.007014 (E_RNA)
where:
Base-Base interactions energy: -246.032
where: short stacking energy: -139.282
Base-Backbone interact. energy: -0.489
local terms energy: -162.485920
where:
bonds (distance) C4'-P energy: -35.093
bonds (distance) P-C4' energy: -33.322
flat angles C4'-P-C4' energy: -36.241
flat angles P-C4'-P energy: -26.533
tors. eta vs tors. theta energy: -31.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 463
Temperature: 1.100000
Total energy: -417.076402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.076402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.076402 (E_RNA)
where:
Base-Base interactions energy: -260.292
where: short stacking energy: -121.832
Base-Backbone interact. energy: -0.708
local terms energy: -156.076006
where:
bonds (distance) C4'-P energy: -34.168
bonds (distance) P-C4' energy: -29.890
flat angles C4'-P-C4' energy: -37.174
flat angles P-C4'-P energy: -27.617
tors. eta vs tors. theta energy: -27.226
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: 9
=====================================
Write number: 463
Temperature: 1.150000
Total energy: -405.878141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.878141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.878141 (E_RNA)
where:
Base-Base interactions energy: -240.179
where: short stacking energy: -122.339
Base-Backbone interact. energy: 0.554
local terms energy: -166.253098
where:
bonds (distance) C4'-P energy: -35.008
bonds (distance) P-C4' energy: -37.110
flat angles C4'-P-C4' energy: -31.507
flat angles P-C4'-P energy: -27.812
tors. eta vs tors. theta energy: -34.816
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: 3
=====================================
Write number: 463
Temperature: 1.200000
Total energy: -342.053401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.053401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.053401 (E_RNA)
where:
Base-Base interactions energy: -209.594
where: short stacking energy: -93.124
Base-Backbone interact. energy: 2.339
local terms energy: -134.798541
where:
bonds (distance) C4'-P energy: -37.330
bonds (distance) P-C4' energy: -35.920
flat angles C4'-P-C4' energy: -31.416
flat angles P-C4'-P energy: -11.600
tors. eta vs tors. theta energy: -18.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 463
Temperature: 1.250000
Total energy: -335.613479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.613479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.613479 (E_RNA)
where:
Base-Base interactions energy: -196.829
where: short stacking energy: -111.068
Base-Backbone interact. energy: -1.446
local terms energy: -137.338515
where:
bonds (distance) C4'-P energy: -31.124
bonds (distance) P-C4' energy: -28.233
flat angles C4'-P-C4' energy: -31.542
flat angles P-C4'-P energy: -21.387
tors. eta vs tors. theta energy: -25.053
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: 7
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -251.723868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.723868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.723868 (E_RNA)
where:
Base-Base interactions energy: -146.688
where: short stacking energy: -71.834
Base-Backbone interact. energy: -0.377
local terms energy: -104.658739
where:
bonds (distance) C4'-P energy: -34.531
bonds (distance) P-C4' energy: -38.101
flat angles C4'-P-C4' energy: -22.337
flat angles P-C4'-P energy: -9.945
tors. eta vs tors. theta energy: 0.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 463
Temperature: 1.350000
Total energy: -225.998161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.998161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.998161 (E_RNA)
where:
Base-Base interactions energy: -123.105
where: short stacking energy: -66.905
Base-Backbone interact. energy: -0.318
local terms energy: -102.574905
where:
bonds (distance) C4'-P energy: -28.075
bonds (distance) P-C4' energy: -34.471
flat angles C4'-P-C4' energy: -18.602
flat angles P-C4'-P energy: -17.233
tors. eta vs tors. theta energy: -4.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -542.986857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.986857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.986857 (E_RNA)
where:
Base-Base interactions energy: -359.518
where: short stacking energy: -169.069
Base-Backbone interact. energy: -0.685
local terms energy: -182.783889
where:
bonds (distance) C4'-P energy: -30.738
bonds (distance) P-C4' energy: -36.238
flat angles C4'-P-C4' energy: -40.630
flat angles P-C4'-P energy: -29.220
tors. eta vs tors. theta energy: -45.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 464
Temperature: 0.950000
Total energy: -546.220882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.220882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.220882 (E_RNA)
where:
Base-Base interactions energy: -368.253
where: short stacking energy: -162.986
Base-Backbone interact. energy: -1.313
local terms energy: -176.654748
where:
bonds (distance) C4'-P energy: -35.706
bonds (distance) P-C4' energy: -36.172
flat angles C4'-P-C4' energy: -32.659
flat angles P-C4'-P energy: -24.217
tors. eta vs tors. theta energy: -47.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 464
Temperature: 1.000000
Total energy: -468.651083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.651083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.651083 (E_RNA)
where:
Base-Base interactions energy: -304.088
where: short stacking energy: -140.142
Base-Backbone interact. energy: 0.495
local terms energy: -165.058654
where:
bonds (distance) C4'-P energy: -35.615
bonds (distance) P-C4' energy: -34.399
flat angles C4'-P-C4' energy: -33.983
flat angles P-C4'-P energy: -26.369
tors. eta vs tors. theta energy: -34.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 464
Temperature: 1.050000
Total energy: -383.999775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.999775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.999775 (E_RNA)
where:
Base-Base interactions energy: -233.401
where: short stacking energy: -120.514
Base-Backbone interact. energy: -0.259
local terms energy: -150.339664
where:
bonds (distance) C4'-P energy: -36.257
bonds (distance) P-C4' energy: -34.436
flat angles C4'-P-C4' energy: -33.561
flat angles P-C4'-P energy: -18.663
tors. eta vs tors. theta energy: -27.421
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: 10
=====================================
Write number: 464
Temperature: 1.100000
Total energy: -445.063637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.063637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.063637 (E_RNA)
where:
Base-Base interactions energy: -299.277
where: short stacking energy: -154.966
Base-Backbone interact. energy: -0.195
local terms energy: -145.591351
where:
bonds (distance) C4'-P energy: -31.571
bonds (distance) P-C4' energy: -28.504
flat angles C4'-P-C4' energy: -29.224
flat angles P-C4'-P energy: -20.664
tors. eta vs tors. theta energy: -35.627
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: 6, replica: 9
=====================================
Write number: 464
Temperature: 1.150000
Total energy: -401.070756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.070756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.070756 (E_RNA)
where:
Base-Base interactions energy: -258.196
where: short stacking energy: -114.512
Base-Backbone interact. energy: 1.234
local terms energy: -144.108560
where:
bonds (distance) C4'-P energy: -31.570
bonds (distance) P-C4' energy: -36.711
flat angles C4'-P-C4' energy: -30.457
flat angles P-C4'-P energy: -21.495
tors. eta vs tors. theta energy: -23.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -371.706287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.706287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.706287 (E_RNA)
where:
Base-Base interactions energy: -239.270
where: short stacking energy: -116.789
Base-Backbone interact. energy: 0.932
local terms energy: -133.368497
where:
bonds (distance) C4'-P energy: -30.018
bonds (distance) P-C4' energy: -24.536
flat angles C4'-P-C4' energy: -38.967
flat angles P-C4'-P energy: -18.265
tors. eta vs tors. theta energy: -21.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -312.215645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.215645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.215645 (E_RNA)
where:
Base-Base interactions energy: -184.074
where: short stacking energy: -95.441
Base-Backbone interact. energy: 1.205
local terms energy: -129.346271
where:
bonds (distance) C4'-P energy: -24.104
bonds (distance) P-C4' energy: -37.697
flat angles C4'-P-C4' energy: -25.414
flat angles P-C4'-P energy: -20.027
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: 9, replica: 7
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -253.332709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.332709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.332709 (E_RNA)
where:
Base-Base interactions energy: -139.878
where: short stacking energy: -72.886
Base-Backbone interact. energy: 0.166
local terms energy: -113.620885
where:
bonds (distance) C4'-P energy: -25.310
bonds (distance) P-C4' energy: -32.979
flat angles C4'-P-C4' energy: -24.770
flat angles P-C4'-P energy: -21.712
tors. eta vs tors. theta energy: -8.850
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: 10, replica: 1
=====================================
Write number: 464
Temperature: 1.350000
Total energy: -229.323592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.323592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.323592 (E_RNA)
where:
Base-Base interactions energy: -132.237
where: short stacking energy: -65.128
Base-Backbone interact. energy: 1.206
local terms energy: -98.292114
where:
bonds (distance) C4'-P energy: -32.207
bonds (distance) P-C4' energy: -34.668
flat angles C4'-P-C4' energy: -17.815
flat angles P-C4'-P energy: -14.371
tors. eta vs tors. theta energy: 0.768
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: 5
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -548.653684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.653684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.653684 (E_RNA)
where:
Base-Base interactions energy: -355.538
where: short stacking energy: -171.581
Base-Backbone interact. energy: -0.520
local terms energy: -192.595539
where:
bonds (distance) C4'-P energy: -36.981
bonds (distance) P-C4' energy: -35.322
flat angles C4'-P-C4' energy: -39.333
flat angles P-C4'-P energy: -29.524
tors. eta vs tors. theta energy: -51.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 465
Temperature: 0.950000
Total energy: -552.190656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.190656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.190656 (E_RNA)
where:
Base-Base interactions energy: -373.169
where: short stacking energy: -172.082
Base-Backbone interact. energy: -0.895
local terms energy: -178.126740
where:
bonds (distance) C4'-P energy: -31.466
bonds (distance) P-C4' energy: -37.500
flat angles C4'-P-C4' energy: -40.571
flat angles P-C4'-P energy: -25.981
tors. eta vs tors. theta energy: -42.609
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: 6
=====================================
Write number: 465
Temperature: 1.000000
Total energy: -476.794025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.794025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.794025 (E_RNA)
where:
Base-Base interactions energy: -313.503
where: short stacking energy: -142.747
Base-Backbone interact. energy: -0.435
local terms energy: -162.856085
where:
bonds (distance) C4'-P energy: -31.826
bonds (distance) P-C4' energy: -30.889
flat angles C4'-P-C4' energy: -37.523
flat angles P-C4'-P energy: -27.468
tors. eta vs tors. theta energy: -35.150
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: 2
=====================================
Write number: 465
Temperature: 1.050000
Total energy: -400.550621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.550621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.550621 (E_RNA)
where:
Base-Base interactions energy: -253.387
where: short stacking energy: -137.831
Base-Backbone interact. energy: -0.825
local terms energy: -146.338674
where:
bonds (distance) C4'-P energy: -27.382
bonds (distance) P-C4' energy: -27.665
flat angles C4'-P-C4' energy: -31.805
flat angles P-C4'-P energy: -25.838
tors. eta vs tors. theta energy: -33.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 465
Temperature: 1.100000
Total energy: -390.686128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.686128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.686128 (E_RNA)
where:
Base-Base interactions energy: -244.484
where: short stacking energy: -126.605
Base-Backbone interact. energy: 3.090
local terms energy: -149.292215
where:
bonds (distance) C4'-P energy: -29.635
bonds (distance) P-C4' energy: -32.614
flat angles C4'-P-C4' energy: -33.732
flat angles P-C4'-P energy: -22.128
tors. eta vs tors. theta energy: -31.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -400.131402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.131402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.131402 (E_RNA)
where:
Base-Base interactions energy: -249.033
where: short stacking energy: -117.615
Base-Backbone interact. energy: -0.610
local terms energy: -150.487925
where:
bonds (distance) C4'-P energy: -30.518
bonds (distance) P-C4' energy: -31.305
flat angles C4'-P-C4' energy: -35.930
flat angles P-C4'-P energy: -26.396
tors. eta vs tors. theta energy: -26.339
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: 3
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -339.792267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.792267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.792267 (E_RNA)
where:
Base-Base interactions energy: -206.322
where: short stacking energy: -115.265
Base-Backbone interact. energy: -0.603
local terms energy: -132.867714
where:
bonds (distance) C4'-P energy: -19.828
bonds (distance) P-C4' energy: -33.995
flat angles C4'-P-C4' energy: -30.774
flat angles P-C4'-P energy: -22.394
tors. eta vs tors. theta energy: -25.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -323.949758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.949758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.949758 (E_RNA)
where:
Base-Base interactions energy: -202.856
where: short stacking energy: -99.103
Base-Backbone interact. energy: -0.654
local terms energy: -120.439831
where:
bonds (distance) C4'-P energy: -27.989
bonds (distance) P-C4' energy: -29.975
flat angles C4'-P-C4' energy: -27.170
flat angles P-C4'-P energy: -18.817
tors. eta vs tors. theta energy: -16.489
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: 465
Temperature: 1.300000
Total energy: -252.826302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.826302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.826302 (E_RNA)
where:
Base-Base interactions energy: -136.999
where: short stacking energy: -89.138
Base-Backbone interact. energy: -0.351
local terms energy: -115.475985
where:
bonds (distance) C4'-P energy: -21.275
bonds (distance) P-C4' energy: -34.582
flat angles C4'-P-C4' energy: -32.107
flat angles P-C4'-P energy: -20.779
tors. eta vs tors. theta energy: -6.732
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: 1
=====================================
Write number: 465
Temperature: 1.350000
Total energy: -219.097881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.097881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.097881 (E_RNA)
where:
Base-Base interactions energy: -116.158
where: short stacking energy: -53.105
Base-Backbone interact. energy: -0.139
local terms energy: -102.801499
where:
bonds (distance) C4'-P energy: -32.214
bonds (distance) P-C4' energy: -20.955
flat angles C4'-P-C4' energy: -23.925
flat angles P-C4'-P energy: -17.593
tors. eta vs tors. theta energy: -8.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -549.185971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.185971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.185971 (E_RNA)
where:
Base-Base interactions energy: -377.721
where: short stacking energy: -169.440
Base-Backbone interact. energy: -0.389
local terms energy: -171.075935
where:
bonds (distance) C4'-P energy: -27.811
bonds (distance) P-C4' energy: -32.314
flat angles C4'-P-C4' energy: -40.272
flat angles P-C4'-P energy: -28.513
tors. eta vs tors. theta energy: -42.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 466
Temperature: 0.950000
Total energy: -542.065071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.065071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.065071 (E_RNA)
where:
Base-Base interactions energy: -354.956
where: short stacking energy: -173.057
Base-Backbone interact. energy: -0.180
local terms energy: -186.929093
where:
bonds (distance) C4'-P energy: -39.251
bonds (distance) P-C4' energy: -36.814
flat angles C4'-P-C4' energy: -37.656
flat angles P-C4'-P energy: -26.390
tors. eta vs tors. theta energy: -46.817
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: 6
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -457.323447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.323447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.323447 (E_RNA)
where:
Base-Base interactions energy: -299.701
where: short stacking energy: -140.604
Base-Backbone interact. energy: -0.918
local terms energy: -156.704381
where:
bonds (distance) C4'-P energy: -32.585
bonds (distance) P-C4' energy: -34.843
flat angles C4'-P-C4' energy: -30.869
flat angles P-C4'-P energy: -28.024
tors. eta vs tors. theta energy: -30.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 466
Temperature: 1.050000
Total energy: -394.179504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.179504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.179504 (E_RNA)
where:
Base-Base interactions energy: -243.924
where: short stacking energy: -129.046
Base-Backbone interact. energy: 0.670
local terms energy: -150.925629
where:
bonds (distance) C4'-P energy: -34.202
bonds (distance) P-C4' energy: -30.762
flat angles C4'-P-C4' energy: -39.984
flat angles P-C4'-P energy: -15.621
tors. eta vs tors. theta energy: -30.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 466
Temperature: 1.100000
Total energy: -418.148233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.148233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.148233 (E_RNA)
where:
Base-Base interactions energy: -261.760
where: short stacking energy: -133.054
Base-Backbone interact. energy: -0.212
local terms energy: -156.175938
where:
bonds (distance) C4'-P energy: -32.241
bonds (distance) P-C4' energy: -30.653
flat angles C4'-P-C4' energy: -30.330
flat angles P-C4'-P energy: -20.253
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: 9
=====================================
Write number: 466
Temperature: 1.150000
Total energy: -399.585969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.585969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.585969 (E_RNA)
where:
Base-Base interactions energy: -258.685
where: short stacking energy: -126.379
Base-Backbone interact. energy: 0.337
local terms energy: -141.238409
where:
bonds (distance) C4'-P energy: -27.036
bonds (distance) P-C4' energy: -34.007
flat angles C4'-P-C4' energy: -34.093
flat angles P-C4'-P energy: -14.077
tors. eta vs tors. theta energy: -32.026
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: 3
=====================================
Write number: 466
Temperature: 1.200000
Total energy: -340.574392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.574392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.574392 (E_RNA)
where:
Base-Base interactions energy: -202.684
where: short stacking energy: -93.615
Base-Backbone interact. energy: -0.997
local terms energy: -136.893931
where:
bonds (distance) C4'-P energy: -32.615
bonds (distance) P-C4' energy: -39.135
flat angles C4'-P-C4' energy: -26.152
flat angles P-C4'-P energy: -17.569
tors. eta vs tors. theta energy: -21.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -345.953126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.953126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.953126 (E_RNA)
where:
Base-Base interactions energy: -217.960
where: short stacking energy: -98.862
Base-Backbone interact. energy: -0.337
local terms energy: -127.655852
where:
bonds (distance) C4'-P energy: -31.388
bonds (distance) P-C4' energy: -36.606
flat angles C4'-P-C4' energy: -23.165
flat angles P-C4'-P energy: -16.536
tors. eta vs tors. theta energy: -19.960
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: 1
=====================================
Write number: 466
Temperature: 1.300000
Total energy: -256.723089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.723089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.723089 (E_RNA)
where:
Base-Base interactions energy: -145.818
where: short stacking energy: -96.811
Base-Backbone interact. energy: -0.266
local terms energy: -110.639250
where:
bonds (distance) C4'-P energy: -30.059
bonds (distance) P-C4' energy: -23.317
flat angles C4'-P-C4' energy: -22.269
flat angles P-C4'-P energy: -13.847
tors. eta vs tors. theta energy: -21.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 466
Temperature: 1.350000
Total energy: -231.400133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.400133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.400133 (E_RNA)
where:
Base-Base interactions energy: -125.791
where: short stacking energy: -67.787
Base-Backbone interact. energy: 0.154
local terms energy: -105.762321
where:
bonds (distance) C4'-P energy: -21.189
bonds (distance) P-C4' energy: -34.857
flat angles C4'-P-C4' energy: -28.312
flat angles P-C4'-P energy: -17.767
tors. eta vs tors. theta energy: -3.637
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: 4
=====================================
Write number: 467
Temperature: 0.900000
Total energy: -558.512542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.512542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.512542 (E_RNA)
where:
Base-Base interactions energy: -378.112
where: short stacking energy: -172.028
Base-Backbone interact. energy: 0.071
local terms energy: -180.471043
where:
bonds (distance) C4'-P energy: -29.463
bonds (distance) P-C4' energy: -38.747
flat angles C4'-P-C4' energy: -39.575
flat angles P-C4'-P energy: -28.489
tors. eta vs tors. theta energy: -44.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 467
Temperature: 0.950000
Total energy: -550.412875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.412875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.412875 (E_RNA)
where:
Base-Base interactions energy: -361.529
where: short stacking energy: -171.982
Base-Backbone interact. energy: -0.671
local terms energy: -188.212791
where:
bonds (distance) C4'-P energy: -35.093
bonds (distance) P-C4' energy: -38.361
flat angles C4'-P-C4' energy: -37.854
flat angles P-C4'-P energy: -29.883
tors. eta vs tors. theta energy: -47.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 467
Temperature: 1.000000
Total energy: -461.879882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.879882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.879882 (E_RNA)
where:
Base-Base interactions energy: -291.641
where: short stacking energy: -136.398
Base-Backbone interact. energy: -1.025
local terms energy: -169.214034
where:
bonds (distance) C4'-P energy: -36.728
bonds (distance) P-C4' energy: -34.382
flat angles C4'-P-C4' energy: -38.607
flat angles P-C4'-P energy: -25.316
tors. eta vs tors. theta energy: -34.180
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: 10
=====================================
Write number: 467
Temperature: 1.050000
Total energy: -440.460208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.460208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.460208 (E_RNA)
where:
Base-Base interactions energy: -272.871
where: short stacking energy: -139.927
Base-Backbone interact. energy: 0.789
local terms energy: -168.377746
where:
bonds (distance) C4'-P energy: -33.956
bonds (distance) P-C4' energy: -38.523
flat angles C4'-P-C4' energy: -35.338
flat angles P-C4'-P energy: -27.296
tors. eta vs tors. theta energy: -33.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 467
Temperature: 1.100000
Total energy: -378.539239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.539239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.539239 (E_RNA)
where:
Base-Base interactions energy: -229.499
where: short stacking energy: -114.755
Base-Backbone interact. energy: 0.065
local terms energy: -149.105261
where:
bonds (distance) C4'-P energy: -30.118
bonds (distance) P-C4' energy: -31.278
flat angles C4'-P-C4' energy: -30.539
flat angles P-C4'-P energy: -24.961
tors. eta vs tors. theta energy: -32.210
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: 9
=====================================
Write number: 467
Temperature: 1.150000
Total energy: -394.431873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.431873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.431873 (E_RNA)
where:
Base-Base interactions energy: -238.519
where: short stacking energy: -101.972
Base-Backbone interact. energy: -0.787
local terms energy: -155.125098
where:
bonds (distance) C4'-P energy: -30.936
bonds (distance) P-C4' energy: -31.001
flat angles C4'-P-C4' energy: -33.470
flat angles P-C4'-P energy: -28.381
tors. eta vs tors. theta energy: -31.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 467
Temperature: 1.200000
Total energy: -357.051899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.051899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.051899 (E_RNA)
where:
Base-Base interactions energy: -217.322
where: short stacking energy: -101.337
Base-Backbone interact. energy: -0.880
local terms energy: -138.849902
where:
bonds (distance) C4'-P energy: -25.664
bonds (distance) P-C4' energy: -34.689
flat angles C4'-P-C4' energy: -33.023
flat angles P-C4'-P energy: -20.655
tors. eta vs tors. theta energy: -24.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 467
Temperature: 1.250000
Total energy: -319.778911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.778911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.778911 (E_RNA)
where:
Base-Base interactions energy: -206.082
where: short stacking energy: -101.202
Base-Backbone interact. energy: -0.069
local terms energy: -113.627874
where:
bonds (distance) C4'-P energy: -27.399
bonds (distance) P-C4' energy: -23.164
flat angles C4'-P-C4' energy: -31.679
flat angles P-C4'-P energy: -13.169
tors. eta vs tors. theta energy: -18.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 467
Temperature: 1.300000
Total energy: -256.268187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.268187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.268187 (E_RNA)
where:
Base-Base interactions energy: -151.276
where: short stacking energy: -79.774
Base-Backbone interact. energy: -1.010
local terms energy: -103.982182
where:
bonds (distance) C4'-P energy: -24.855
bonds (distance) P-C4' energy: -27.283
flat angles C4'-P-C4' energy: -29.603
flat angles P-C4'-P energy: -9.303
tors. eta vs tors. theta energy: -12.939
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: 7
=====================================
Write number: 467
Temperature: 1.350000
Total energy: -224.901242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.901242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.901242 (E_RNA)
where:
Base-Base interactions energy: -131.872
where: short stacking energy: -64.063
Base-Backbone interact. energy: -0.292
local terms energy: -92.737437
where:
bonds (distance) C4'-P energy: -32.178
bonds (distance) P-C4' energy: -27.457
flat angles C4'-P-C4' energy: -18.272
flat angles P-C4'-P energy: -16.012
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: 1, replica: 5
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -560.218205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.218205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.218205 (E_RNA)
where:
Base-Base interactions energy: -367.450
where: short stacking energy: -182.724
Base-Backbone interact. energy: 0.375
local terms energy: -193.143086
where:
bonds (distance) C4'-P energy: -37.722
bonds (distance) P-C4' energy: -34.940
flat angles C4'-P-C4' energy: -38.155
flat angles P-C4'-P energy: -29.941
tors. eta vs tors. theta energy: -52.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 468
Temperature: 0.950000
Total energy: -546.744606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.744606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.744606 (E_RNA)
where:
Base-Base interactions energy: -374.364
where: short stacking energy: -169.552
Base-Backbone interact. energy: -0.383
local terms energy: -171.997402
where:
bonds (distance) C4'-P energy: -37.146
bonds (distance) P-C4' energy: -30.855
flat angles C4'-P-C4' energy: -36.015
flat angles P-C4'-P energy: -22.600
tors. eta vs tors. theta energy: -45.382
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: 10
=====================================
Write number: 468
Temperature: 1.000000
Total energy: -464.993030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.993030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.993030 (E_RNA)
where:
Base-Base interactions energy: -296.649
where: short stacking energy: -148.651
Base-Backbone interact. energy: -0.154
local terms energy: -168.190437
where:
bonds (distance) C4'-P energy: -33.901
bonds (distance) P-C4' energy: -31.983
flat angles C4'-P-C4' energy: -38.981
flat angles P-C4'-P energy: -23.209
tors. eta vs tors. theta energy: -40.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 468
Temperature: 1.050000
Total energy: -444.185431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.185431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.185431 (E_RNA)
where:
Base-Base interactions energy: -277.466
where: short stacking energy: -132.024
Base-Backbone interact. energy: 0.793
local terms energy: -167.512499
where:
bonds (distance) C4'-P energy: -40.878
bonds (distance) P-C4' energy: -36.506
flat angles C4'-P-C4' energy: -33.165
flat angles P-C4'-P energy: -28.228
tors. eta vs tors. theta energy: -28.735
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: 468
Temperature: 1.100000
Total energy: -431.268541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.268541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.268541 (E_RNA)
where:
Base-Base interactions energy: -276.614
where: short stacking energy: -148.788
Base-Backbone interact. energy: -0.782
local terms energy: -153.873269
where:
bonds (distance) C4'-P energy: -36.141
bonds (distance) P-C4' energy: -16.554
flat angles C4'-P-C4' energy: -38.080
flat angles P-C4'-P energy: -20.231
tors. eta vs tors. theta energy: -42.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 468
Temperature: 1.150000
Total energy: -385.187848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.187848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.187848 (E_RNA)
where:
Base-Base interactions energy: -244.167
where: short stacking energy: -129.007
Base-Backbone interact. energy: 0.860
local terms energy: -141.880965
where:
bonds (distance) C4'-P energy: -32.138
bonds (distance) P-C4' energy: -31.049
flat angles C4'-P-C4' energy: -29.685
flat angles P-C4'-P energy: -21.047
tors. eta vs tors. theta energy: -27.962
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: 8
=====================================
Write number: 468
Temperature: 1.200000
Total energy: -321.004904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.004904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.004904 (E_RNA)
where:
Base-Base interactions energy: -178.167
where: short stacking energy: -89.100
Base-Backbone interact. energy: 0.212
local terms energy: -143.050580
where:
bonds (distance) C4'-P energy: -33.948
bonds (distance) P-C4' energy: -31.840
flat angles C4'-P-C4' energy: -35.917
flat angles P-C4'-P energy: -27.100
tors. eta vs tors. theta energy: -14.245
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: 3
=====================================
Write number: 468
Temperature: 1.250000
Total energy: -331.329281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.329281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.329281 (E_RNA)
where:
Base-Base interactions energy: -199.283
where: short stacking energy: -97.248
Base-Backbone interact. energy: 0.527
local terms energy: -132.573358
where:
bonds (distance) C4'-P energy: -32.178
bonds (distance) P-C4' energy: -32.237
flat angles C4'-P-C4' energy: -28.428
flat angles P-C4'-P energy: -20.474
tors. eta vs tors. theta energy: -19.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -233.883561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.883561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.883561 (E_RNA)
where:
Base-Base interactions energy: -131.640
where: short stacking energy: -68.935
Base-Backbone interact. energy: 4.306
local terms energy: -106.549608
where:
bonds (distance) C4'-P energy: -18.505
bonds (distance) P-C4' energy: -29.641
flat angles C4'-P-C4' energy: -25.595
flat angles P-C4'-P energy: -22.388
tors. eta vs tors. theta energy: -10.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 468
Temperature: 1.350000
Total energy: -230.564386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.564386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.564386 (E_RNA)
where:
Base-Base interactions energy: -122.029
where: short stacking energy: -77.586
Base-Backbone interact. energy: 2.024
local terms energy: -110.558986
where:
bonds (distance) C4'-P energy: -35.780
bonds (distance) P-C4' energy: -30.003
flat angles C4'-P-C4' energy: -23.756
flat angles P-C4'-P energy: -13.784
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: 1, replica: 5
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -559.658359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.658359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.658359 (E_RNA)
where:
Base-Base interactions energy: -374.135
where: short stacking energy: -188.227
Base-Backbone interact. energy: 0.739
local terms energy: -186.261668
where:
bonds (distance) C4'-P energy: -35.653
bonds (distance) P-C4' energy: -35.939
flat angles C4'-P-C4' energy: -38.182
flat angles P-C4'-P energy: -22.560
tors. eta vs tors. theta energy: -53.927
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: 4
=====================================
Write number: 469
Temperature: 0.950000
Total energy: -520.988947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.988947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.988947 (E_RNA)
where:
Base-Base interactions energy: -356.387
where: short stacking energy: -151.451
Base-Backbone interact. energy: -0.626
local terms energy: -163.975829
where:
bonds (distance) C4'-P energy: -28.791
bonds (distance) P-C4' energy: -37.589
flat angles C4'-P-C4' energy: -36.997
flat angles P-C4'-P energy: -25.467
tors. eta vs tors. theta energy: -35.131
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: 10
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -471.950780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.950780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.950780 (E_RNA)
where:
Base-Base interactions energy: -310.515
where: short stacking energy: -151.846
Base-Backbone interact. energy: -0.239
local terms energy: -161.196684
where:
bonds (distance) C4'-P energy: -29.339
bonds (distance) P-C4' energy: -28.552
flat angles C4'-P-C4' energy: -39.821
flat angles P-C4'-P energy: -24.595
tors. eta vs tors. theta energy: -38.890
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: 6
=====================================
Write number: 469
Temperature: 1.050000
Total energy: -457.077340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.077340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.077340 (E_RNA)
where:
Base-Base interactions energy: -300.229
where: short stacking energy: -142.797
Base-Backbone interact. energy: 0.915
local terms energy: -157.763842
where:
bonds (distance) C4'-P energy: -32.318
bonds (distance) P-C4' energy: -31.016
flat angles C4'-P-C4' energy: -39.916
flat angles P-C4'-P energy: -20.119
tors. eta vs tors. theta energy: -34.394
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: 469
Temperature: 1.100000
Total energy: -460.704379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.704379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.704379 (E_RNA)
where:
Base-Base interactions energy: -296.213
where: short stacking energy: -159.723
Base-Backbone interact. energy: 0.039
local terms energy: -164.530865
where:
bonds (distance) C4'-P energy: -22.422
bonds (distance) P-C4' energy: -34.582
flat angles C4'-P-C4' energy: -37.727
flat angles P-C4'-P energy: -26.422
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: 6, replica: 2
=====================================
Write number: 469
Temperature: 1.150000
Total energy: -370.049623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.049623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.049623 (E_RNA)
where:
Base-Base interactions energy: -239.548
where: short stacking energy: -128.746
Base-Backbone interact. energy: -1.127
local terms energy: -129.374592
where:
bonds (distance) C4'-P energy: -25.255
bonds (distance) P-C4' energy: -30.500
flat angles C4'-P-C4' energy: -34.318
flat angles P-C4'-P energy: -19.058
tors. eta vs tors. theta energy: -20.243
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: 7, replica: 8
=====================================
Write number: 469
Temperature: 1.200000
Total energy: -353.072499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.072499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.072499 (E_RNA)
where:
Base-Base interactions energy: -209.650
where: short stacking energy: -107.491
Base-Backbone interact. energy: -0.466
local terms energy: -142.956919
where:
bonds (distance) C4'-P energy: -29.695
bonds (distance) P-C4' energy: -38.146
flat angles C4'-P-C4' energy: -33.418
flat angles P-C4'-P energy: -22.726
tors. eta vs tors. theta energy: -18.972
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: 8, replica: 3
=====================================
Write number: 469
Temperature: 1.250000
Total energy: -300.866711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.866711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.866711 (E_RNA)
where:
Base-Base interactions energy: -183.779
where: short stacking energy: -92.319
Base-Backbone interact. energy: -0.719
local terms energy: -116.368267
where:
bonds (distance) C4'-P energy: -20.214
bonds (distance) P-C4' energy: -33.480
flat angles C4'-P-C4' energy: -29.655
flat angles P-C4'-P energy: -24.921
tors. eta vs tors. theta energy: -8.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 469
Temperature: 1.300000
Total energy: -243.353208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.353208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.353208 (E_RNA)
where:
Base-Base interactions energy: -121.215
where: short stacking energy: -56.907
Base-Backbone interact. energy: -0.967
local terms energy: -121.171124
where:
bonds (distance) C4'-P energy: -29.858
bonds (distance) P-C4' energy: -35.120
flat angles C4'-P-C4' energy: -27.791
flat angles P-C4'-P energy: -20.324
tors. eta vs tors. theta energy: -8.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 469
Temperature: 1.350000
Total energy: -206.548240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.548240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.548240 (E_RNA)
where:
Base-Base interactions energy: -100.092
where: short stacking energy: -55.939
Base-Backbone interact. energy: 0.796
local terms energy: -107.252230
where:
bonds (distance) C4'-P energy: -29.600
bonds (distance) P-C4' energy: -30.814
flat angles C4'-P-C4' energy: -25.809
flat angles P-C4'-P energy: -20.578
tors. eta vs tors. theta energy: -0.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -546.164418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.164418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.164418 (E_RNA)
where:
Base-Base interactions energy: -361.152
where: short stacking energy: -171.787
Base-Backbone interact. energy: -0.153
local terms energy: -184.859532
where:
bonds (distance) C4'-P energy: -38.630
bonds (distance) P-C4' energy: -33.876
flat angles C4'-P-C4' energy: -40.343
flat angles P-C4'-P energy: -23.903
tors. eta vs tors. theta energy: -48.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 470
Temperature: 0.950000
Total energy: -507.818739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.818739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.818739 (E_RNA)
where:
Base-Base interactions energy: -342.963
where: short stacking energy: -145.295
Base-Backbone interact. energy: -0.758
local terms energy: -164.097654
where:
bonds (distance) C4'-P energy: -32.883
bonds (distance) P-C4' energy: -29.894
flat angles C4'-P-C4' energy: -37.245
flat angles P-C4'-P energy: -27.555
tors. eta vs tors. theta energy: -36.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 470
Temperature: 1.000000
Total energy: -476.426926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.426926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.426926 (E_RNA)
where:
Base-Base interactions energy: -314.362
where: short stacking energy: -146.685
Base-Backbone interact. energy: 0.558
local terms energy: -162.623111
where:
bonds (distance) C4'-P energy: -30.783
bonds (distance) P-C4' energy: -32.261
flat angles C4'-P-C4' energy: -34.848
flat angles P-C4'-P energy: -24.736
tors. eta vs tors. theta energy: -39.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -460.435877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.435877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.435877 (E_RNA)
where:
Base-Base interactions energy: -288.093
where: short stacking energy: -142.652
Base-Backbone interact. energy: -0.694
local terms energy: -171.648412
where:
bonds (distance) C4'-P energy: -35.767
bonds (distance) P-C4' energy: -35.136
flat angles C4'-P-C4' energy: -42.337
flat angles P-C4'-P energy: -20.760
tors. eta vs tors. theta energy: -37.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 470
Temperature: 1.100000
Total energy: -457.748342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.748342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.748342 (E_RNA)
where:
Base-Base interactions energy: -298.130
where: short stacking energy: -149.704
Base-Backbone interact. energy: -0.168
local terms energy: -159.450482
where:
bonds (distance) C4'-P energy: -31.344
bonds (distance) P-C4' energy: -36.062
flat angles C4'-P-C4' energy: -29.486
flat angles P-C4'-P energy: -25.388
tors. eta vs tors. theta energy: -37.171
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: 2
=====================================
Write number: 470
Temperature: 1.150000
Total energy: -342.872879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.872879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.872879 (E_RNA)
where:
Base-Base interactions energy: -212.786
where: short stacking energy: -105.385
Base-Backbone interact. energy: 0.110
local terms energy: -130.197222
where:
bonds (distance) C4'-P energy: -26.503
bonds (distance) P-C4' energy: -32.014
flat angles C4'-P-C4' energy: -30.682
flat angles P-C4'-P energy: -23.240
tors. eta vs tors. theta energy: -17.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 470
Temperature: 1.200000
Total energy: -336.009997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.009997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.009997 (E_RNA)
where:
Base-Base interactions energy: -198.591
where: short stacking energy: -81.606
Base-Backbone interact. energy: -1.419
local terms energy: -136.000091
where:
bonds (distance) C4'-P energy: -34.765
bonds (distance) P-C4' energy: -32.703
flat angles C4'-P-C4' energy: -35.978
flat angles P-C4'-P energy: -24.234
tors. eta vs tors. theta energy: -8.320
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: 8
=====================================
Write number: 470
Temperature: 1.250000
Total energy: -328.055998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.055998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.055998 (E_RNA)
where:
Base-Base interactions energy: -195.658
where: short stacking energy: -104.859
Base-Backbone interact. energy: -0.276
local terms energy: -132.122817
where:
bonds (distance) C4'-P energy: -34.274
bonds (distance) P-C4' energy: -28.690
flat angles C4'-P-C4' energy: -37.788
flat angles P-C4'-P energy: -16.690
tors. eta vs tors. theta energy: -14.681
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: 1
=====================================
Write number: 470
Temperature: 1.300000
Total energy: -239.808014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.808014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.808014 (E_RNA)
where:
Base-Base interactions energy: -125.011
where: short stacking energy: -73.747
Base-Backbone interact. energy: -0.561
local terms energy: -114.236337
where:
bonds (distance) C4'-P energy: -29.460
bonds (distance) P-C4' energy: -26.143
flat angles C4'-P-C4' energy: -33.369
flat angles P-C4'-P energy: -14.967
tors. eta vs tors. theta energy: -10.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 470
Temperature: 1.350000
Total energy: -255.533170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.533170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.533170 (E_RNA)
where:
Base-Base interactions energy: -146.498
where: short stacking energy: -79.169
Base-Backbone interact. energy: 0.805
local terms energy: -109.839374
where:
bonds (distance) C4'-P energy: -23.551
bonds (distance) P-C4' energy: -25.849
flat angles C4'-P-C4' energy: -31.692
flat angles P-C4'-P energy: -12.736
tors. eta vs tors. theta energy: -16.013
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: 5
=====================================
Write number: 471
Temperature: 0.900000
Total energy: -540.868152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.868152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.868152 (E_RNA)
where:
Base-Base interactions energy: -356.843
where: short stacking energy: -176.927
Base-Backbone interact. energy: -0.431
local terms energy: -183.594460
where:
bonds (distance) C4'-P energy: -28.942
bonds (distance) P-C4' energy: -36.021
flat angles C4'-P-C4' energy: -41.569
flat angles P-C4'-P energy: -28.624
tors. eta vs tors. theta energy: -48.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 471
Temperature: 0.950000
Total energy: -528.528113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.528113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.528113 (E_RNA)
where:
Base-Base interactions energy: -364.345
where: short stacking energy: -159.545
Base-Backbone interact. energy: -1.637
local terms energy: -162.545673
where:
bonds (distance) C4'-P energy: -31.284
bonds (distance) P-C4' energy: -31.349
flat angles C4'-P-C4' energy: -33.452
flat angles P-C4'-P energy: -23.596
tors. eta vs tors. theta energy: -42.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 471
Temperature: 1.000000
Total energy: -490.623647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.623647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.623647 (E_RNA)
where:
Base-Base interactions energy: -326.815
where: short stacking energy: -155.507
Base-Backbone interact. energy: -0.772
local terms energy: -163.035914
where:
bonds (distance) C4'-P energy: -40.688
bonds (distance) P-C4' energy: -30.490
flat angles C4'-P-C4' energy: -37.587
flat angles P-C4'-P energy: -20.737
tors. eta vs tors. theta energy: -33.534
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: 4, replica: 10
=====================================
Write number: 471
Temperature: 1.050000
Total energy: -466.175843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.175843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.175843 (E_RNA)
where:
Base-Base interactions energy: -301.568
where: short stacking energy: -154.174
Base-Backbone interact. energy: -0.409
local terms energy: -164.198090
where:
bonds (distance) C4'-P energy: -29.815
bonds (distance) P-C4' energy: -34.036
flat angles C4'-P-C4' energy: -30.272
flat angles P-C4'-P energy: -23.025
tors. eta vs tors. theta energy: -47.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 471
Temperature: 1.100000
Total energy: -453.595871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.595871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.595871 (E_RNA)
where:
Base-Base interactions energy: -292.822
where: short stacking energy: -146.992
Base-Backbone interact. energy: -0.140
local terms energy: -160.634325
where:
bonds (distance) C4'-P energy: -32.279
bonds (distance) P-C4' energy: -33.074
flat angles C4'-P-C4' energy: -37.233
flat angles P-C4'-P energy: -24.089
tors. eta vs tors. theta energy: -33.960
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: 471
Temperature: 1.150000
Total energy: -343.051779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.051779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.051779 (E_RNA)
where:
Base-Base interactions energy: -216.809
where: short stacking energy: -116.954
Base-Backbone interact. energy: -0.336
local terms energy: -125.906858
where:
bonds (distance) C4'-P energy: -26.638
bonds (distance) P-C4' energy: -28.851
flat angles C4'-P-C4' energy: -25.291
flat angles P-C4'-P energy: -18.356
tors. eta vs tors. theta energy: -26.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 471
Temperature: 1.200000
Total energy: -343.005848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.005848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.005848 (E_RNA)
where:
Base-Base interactions energy: -208.588
where: short stacking energy: -110.474
Base-Backbone interact. energy: -0.935
local terms energy: -133.483116
where:
bonds (distance) C4'-P energy: -29.099
bonds (distance) P-C4' energy: -35.337
flat angles C4'-P-C4' energy: -32.870
flat angles P-C4'-P energy: -19.565
tors. eta vs tors. theta energy: -16.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 471
Temperature: 1.250000
Total energy: -359.655193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.655193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.655193 (E_RNA)
where:
Base-Base interactions energy: -217.881
where: short stacking energy: -119.996
Base-Backbone interact. energy: -0.527
local terms energy: -141.246472
where:
bonds (distance) C4'-P energy: -26.221
bonds (distance) P-C4' energy: -30.212
flat angles C4'-P-C4' energy: -25.281
flat angles P-C4'-P energy: -27.469
tors. eta vs tors. theta energy: -32.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 471
Temperature: 1.300000
Total energy: -223.955781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.955781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.955781 (E_RNA)
where:
Base-Base interactions energy: -113.850
where: short stacking energy: -69.024
Base-Backbone interact. energy: 1.444
local terms energy: -111.550629
where:
bonds (distance) C4'-P energy: -29.620
bonds (distance) P-C4' energy: -30.024
flat angles C4'-P-C4' energy: -26.378
flat angles P-C4'-P energy: -20.336
tors. eta vs tors. theta energy: -5.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 471
Temperature: 1.350000
Total energy: -230.313901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.313901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.313901 (E_RNA)
where:
Base-Base interactions energy: -112.931
where: short stacking energy: -70.837
Base-Backbone interact. energy: -0.575
local terms energy: -116.808095
where:
bonds (distance) C4'-P energy: -20.998
bonds (distance) P-C4' energy: -35.890
flat angles C4'-P-C4' energy: -30.349
flat angles P-C4'-P energy: -12.512
tors. eta vs tors. theta energy: -17.059
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: 4
=====================================
Write number: 472
Temperature: 0.900000
Total energy: -545.141662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.141662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.141662 (E_RNA)
where:
Base-Base interactions energy: -370.189
where: short stacking energy: -169.959
Base-Backbone interact. energy: -0.652
local terms energy: -174.299969
where:
bonds (distance) C4'-P energy: -31.538
bonds (distance) P-C4' energy: -29.242
flat angles C4'-P-C4' energy: -40.600
flat angles P-C4'-P energy: -22.090
tors. eta vs tors. theta energy: -50.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 472
Temperature: 0.950000
Total energy: -527.227148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.227148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.227148 (E_RNA)
where:
Base-Base interactions energy: -351.090
where: short stacking energy: -165.163
Base-Backbone interact. energy: -0.166
local terms energy: -175.970530
where:
bonds (distance) C4'-P energy: -36.295
bonds (distance) P-C4' energy: -32.600
flat angles C4'-P-C4' energy: -39.036
flat angles P-C4'-P energy: -22.223
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: 10
=====================================
Write number: 472
Temperature: 1.000000
Total energy: -481.383455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.383455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.383455 (E_RNA)
where:
Base-Base interactions energy: -326.044
where: short stacking energy: -162.939
Base-Backbone interact. energy: 2.065
local terms energy: -157.404698
where:
bonds (distance) C4'-P energy: -26.479
bonds (distance) P-C4' energy: -31.917
flat angles C4'-P-C4' energy: -35.278
flat angles P-C4'-P energy: -24.348
tors. eta vs tors. theta energy: -39.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 472
Temperature: 1.050000
Total energy: -463.182685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.182685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.182685 (E_RNA)
where:
Base-Base interactions energy: -300.483
where: short stacking energy: -140.769
Base-Backbone interact. energy: -1.169
local terms energy: -161.530097
where:
bonds (distance) C4'-P energy: -25.985
bonds (distance) P-C4' energy: -40.143
flat angles C4'-P-C4' energy: -33.158
flat angles P-C4'-P energy: -25.270
tors. eta vs tors. theta energy: -36.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 472
Temperature: 1.100000
Total energy: -432.124297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.124297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.124297 (E_RNA)
where:
Base-Base interactions energy: -275.256
where: short stacking energy: -126.790
Base-Backbone interact. energy: -0.162
local terms energy: -156.705774
where:
bonds (distance) C4'-P energy: -29.108
bonds (distance) P-C4' energy: -36.368
flat angles C4'-P-C4' energy: -35.934
flat angles P-C4'-P energy: -15.636
tors. eta vs tors. theta energy: -39.660
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: 3
=====================================
Write number: 472
Temperature: 1.150000
Total energy: -345.407720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.407720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.407720 (E_RNA)
where:
Base-Base interactions energy: -210.462
where: short stacking energy: -102.960
Base-Backbone interact. energy: 0.177
local terms energy: -135.123211
where:
bonds (distance) C4'-P energy: -30.938
bonds (distance) P-C4' energy: -30.945
flat angles C4'-P-C4' energy: -34.935
flat angles P-C4'-P energy: -17.504
tors. eta vs tors. theta energy: -20.801
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: 2
=====================================
Write number: 472
Temperature: 1.200000
Total energy: -339.477260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.477260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.477260 (E_RNA)
where:
Base-Base interactions energy: -210.383
where: short stacking energy: -98.069
Base-Backbone interact. energy: -0.415
local terms energy: -128.679009
where:
bonds (distance) C4'-P energy: -31.403
bonds (distance) P-C4' energy: -33.324
flat angles C4'-P-C4' energy: -24.174
flat angles P-C4'-P energy: -18.582
tors. eta vs tors. theta energy: -21.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 472
Temperature: 1.250000
Total energy: -336.985184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.985184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.985184 (E_RNA)
where:
Base-Base interactions energy: -201.522
where: short stacking energy: -89.018
Base-Backbone interact. energy: -0.981
local terms energy: -134.482517
where:
bonds (distance) C4'-P energy: -23.297
bonds (distance) P-C4' energy: -38.779
flat angles C4'-P-C4' energy: -35.880
flat angles P-C4'-P energy: -21.058
tors. eta vs tors. theta energy: -15.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 472
Temperature: 1.300000
Total energy: -237.595128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.595128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.595128 (E_RNA)
where:
Base-Base interactions energy: -111.042
where: short stacking energy: -58.730
Base-Backbone interact. energy: -0.657
local terms energy: -125.896353
where:
bonds (distance) C4'-P energy: -33.726
bonds (distance) P-C4' energy: -32.374
flat angles C4'-P-C4' energy: -27.217
flat angles P-C4'-P energy: -24.266
tors. eta vs tors. theta energy: -8.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 472
Temperature: 1.350000
Total energy: -226.218386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.218386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.218386 (E_RNA)
where:
Base-Base interactions energy: -115.335
where: short stacking energy: -60.373
Base-Backbone interact. energy: -0.774
local terms energy: -110.109424
where:
bonds (distance) C4'-P energy: -32.052
bonds (distance) P-C4' energy: -34.120
flat angles C4'-P-C4' energy: -21.749
flat angles P-C4'-P energy: -16.080
tors. eta vs tors. theta energy: -6.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 473
Temperature: 0.900000
Total energy: -553.310968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.310968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.310968 (E_RNA)
where:
Base-Base interactions energy: -376.287
where: short stacking energy: -167.953
Base-Backbone interact. energy: -0.562
local terms energy: -176.462080
where:
bonds (distance) C4'-P energy: -27.438
bonds (distance) P-C4' energy: -39.255
flat angles C4'-P-C4' energy: -36.488
flat angles P-C4'-P energy: -25.042
tors. eta vs tors. theta energy: -48.239
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: 5
=====================================
Write number: 473
Temperature: 0.950000
Total energy: -531.540373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.540373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.540373 (E_RNA)
where:
Base-Base interactions energy: -345.722
where: short stacking energy: -183.468
Base-Backbone interact. energy: -0.941
local terms energy: -184.877932
where:
bonds (distance) C4'-P energy: -37.179
bonds (distance) P-C4' energy: -33.656
flat angles C4'-P-C4' energy: -41.146
flat angles P-C4'-P energy: -24.049
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: 3, replica: 10
=====================================
Write number: 473
Temperature: 1.000000
Total energy: -506.865872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.865872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.865872 (E_RNA)
where:
Base-Base interactions energy: -321.798
where: short stacking energy: -156.687
Base-Backbone interact. energy: -0.048
local terms energy: -185.019884
where:
bonds (distance) C4'-P energy: -36.610
bonds (distance) P-C4' energy: -32.931
flat angles C4'-P-C4' energy: -39.784
flat angles P-C4'-P energy: -28.193
tors. eta vs tors. theta energy: -47.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 473
Temperature: 1.050000
Total energy: -467.748861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.748861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.748861 (E_RNA)
where:
Base-Base interactions energy: -302.618
where: short stacking energy: -150.582
Base-Backbone interact. energy: -0.125
local terms energy: -165.006102
where:
bonds (distance) C4'-P energy: -31.174
bonds (distance) P-C4' energy: -38.791
flat angles C4'-P-C4' energy: -40.480
flat angles P-C4'-P energy: -13.975
tors. eta vs tors. theta energy: -40.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 473
Temperature: 1.100000
Total energy: -426.396022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.396022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.396022 (E_RNA)
where:
Base-Base interactions energy: -290.458
where: short stacking energy: -119.049
Base-Backbone interact. energy: -0.880
local terms energy: -135.058647
where:
bonds (distance) C4'-P energy: -33.507
bonds (distance) P-C4' energy: -30.395
flat angles C4'-P-C4' energy: -25.495
flat angles P-C4'-P energy: -15.098
tors. eta vs tors. theta energy: -30.563
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: 2
=====================================
Write number: 473
Temperature: 1.150000
Total energy: -367.715961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.715961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.715961 (E_RNA)
where:
Base-Base interactions energy: -232.174
where: short stacking energy: -126.705
Base-Backbone interact. energy: -0.273
local terms energy: -135.268360
where:
bonds (distance) C4'-P energy: -29.874
bonds (distance) P-C4' energy: -35.281
flat angles C4'-P-C4' energy: -27.433
flat angles P-C4'-P energy: -17.196
tors. eta vs tors. theta energy: -25.485
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: 473
Temperature: 1.200000
Total energy: -329.069361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.069361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.069361 (E_RNA)
where:
Base-Base interactions energy: -212.319
where: short stacking energy: -105.808
Base-Backbone interact. energy: -0.601
local terms energy: -116.150162
where:
bonds (distance) C4'-P energy: -25.277
bonds (distance) P-C4' energy: -22.582
flat angles C4'-P-C4' energy: -30.967
flat angles P-C4'-P energy: -25.650
tors. eta vs tors. theta energy: -11.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 473
Temperature: 1.250000
Total energy: -243.621074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.621074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.621074 (E_RNA)
where:
Base-Base interactions energy: -130.406
where: short stacking energy: -70.766
Base-Backbone interact. energy: 0.002
local terms energy: -113.217390
where:
bonds (distance) C4'-P energy: -35.843
bonds (distance) P-C4' energy: -28.450
flat angles C4'-P-C4' energy: -25.571
flat angles P-C4'-P energy: -19.439
tors. eta vs tors. theta energy: -3.914
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: 9, replica: 8
=====================================
Write number: 473
Temperature: 1.300000
Total energy: -300.705288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.705288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.705288 (E_RNA)
where:
Base-Base interactions energy: -192.081
where: short stacking energy: -88.301
Base-Backbone interact. energy: -0.474
local terms energy: -108.150981
where:
bonds (distance) C4'-P energy: -19.473
bonds (distance) P-C4' energy: -31.643
flat angles C4'-P-C4' energy: -23.780
flat angles P-C4'-P energy: -17.588
tors. eta vs tors. theta energy: -15.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 473
Temperature: 1.350000
Total energy: -231.553578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.553578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.553578 (E_RNA)
where:
Base-Base interactions energy: -117.877
where: short stacking energy: -66.822
Base-Backbone interact. energy: 1.725
local terms energy: -115.401363
where:
bonds (distance) C4'-P energy: -25.372
bonds (distance) P-C4' energy: -31.649
flat angles C4'-P-C4' energy: -33.512
flat angles P-C4'-P energy: -15.309
tors. eta vs tors. theta energy: -9.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 474
Temperature: 0.900000
Total energy: -545.171897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.171897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.171897 (E_RNA)
where:
Base-Base interactions energy: -370.894
where: short stacking energy: -164.554
Base-Backbone interact. energy: -0.590
local terms energy: -173.687539
where:
bonds (distance) C4'-P energy: -36.029
bonds (distance) P-C4' energy: -36.562
flat angles C4'-P-C4' energy: -30.714
flat angles P-C4'-P energy: -24.931
tors. eta vs tors. theta energy: -45.452
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: 5
=====================================
Write number: 474
Temperature: 0.950000
Total energy: -541.459983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.459983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.459983 (E_RNA)
where:
Base-Base interactions energy: -357.383
where: short stacking energy: -176.877
Base-Backbone interact. energy: -0.156
local terms energy: -183.921568
where:
bonds (distance) C4'-P energy: -36.027
bonds (distance) P-C4' energy: -35.158
flat angles C4'-P-C4' energy: -35.268
flat angles P-C4'-P energy: -26.630
tors. eta vs tors. theta energy: -50.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 474
Temperature: 1.000000
Total energy: -452.324755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.324755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.324755 (E_RNA)
where:
Base-Base interactions energy: -296.915
where: short stacking energy: -136.551
Base-Backbone interact. energy: -0.464
local terms energy: -154.946247
where:
bonds (distance) C4'-P energy: -28.054
bonds (distance) P-C4' energy: -38.295
flat angles C4'-P-C4' energy: -35.116
flat angles P-C4'-P energy: -19.746
tors. eta vs tors. theta energy: -33.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 474
Temperature: 1.050000
Total energy: -454.195135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.195135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.195135 (E_RNA)
where:
Base-Base interactions energy: -294.633
where: short stacking energy: -149.763
Base-Backbone interact. energy: -0.148
local terms energy: -159.413625
where:
bonds (distance) C4'-P energy: -28.253
bonds (distance) P-C4' energy: -33.709
flat angles C4'-P-C4' energy: -35.397
flat angles P-C4'-P energy: -19.774
tors. eta vs tors. theta energy: -42.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 474
Temperature: 1.100000
Total energy: -438.028944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.028944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.028944 (E_RNA)
where:
Base-Base interactions energy: -289.064
where: short stacking energy: -128.007
Base-Backbone interact. energy: -1.222
local terms energy: -147.742755
where:
bonds (distance) C4'-P energy: -27.008
bonds (distance) P-C4' energy: -34.570
flat angles C4'-P-C4' energy: -36.892
flat angles P-C4'-P energy: -23.343
tors. eta vs tors. theta energy: -25.929
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: 2
=====================================
Write number: 474
Temperature: 1.150000
Total energy: -371.744505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.744505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.744505 (E_RNA)
where:
Base-Base interactions energy: -221.824
where: short stacking energy: -127.904
Base-Backbone interact. energy: -0.598
local terms energy: -149.321596
where:
bonds (distance) C4'-P energy: -34.745
bonds (distance) P-C4' energy: -33.895
flat angles C4'-P-C4' energy: -33.528
flat angles P-C4'-P energy: -17.038
tors. eta vs tors. theta energy: -30.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 474
Temperature: 1.200000
Total energy: -317.816842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.816842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.816842 (E_RNA)
where:
Base-Base interactions energy: -206.321
where: short stacking energy: -99.870
Base-Backbone interact. energy: -0.760
local terms energy: -110.736442
where:
bonds (distance) C4'-P energy: -32.145
bonds (distance) P-C4' energy: -22.221
flat angles C4'-P-C4' energy: -28.569
flat angles P-C4'-P energy: -19.897
tors. eta vs tors. theta energy: -7.905
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: 7
=====================================
Write number: 474
Temperature: 1.250000
Total energy: -256.170101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.170101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.170101 (E_RNA)
where:
Base-Base interactions energy: -131.529
where: short stacking energy: -85.945
Base-Backbone interact. energy: -0.462
local terms energy: -124.179091
where:
bonds (distance) C4'-P energy: -25.595
bonds (distance) P-C4' energy: -28.746
flat angles C4'-P-C4' energy: -28.788
flat angles P-C4'-P energy: -21.768
tors. eta vs tors. theta energy: -19.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 474
Temperature: 1.300000
Total energy: -257.351946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.351946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.351946 (E_RNA)
where:
Base-Base interactions energy: -153.981
where: short stacking energy: -80.496
Base-Backbone interact. energy: -0.758
local terms energy: -102.612782
where:
bonds (distance) C4'-P energy: -35.358
bonds (distance) P-C4' energy: -27.308
flat angles C4'-P-C4' energy: -19.299
flat angles P-C4'-P energy: -10.963
tors. eta vs tors. theta energy: -9.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 474
Temperature: 1.350000
Total energy: -262.748392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.748392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.748392 (E_RNA)
where:
Base-Base interactions energy: -175.172
where: short stacking energy: -70.868
Base-Backbone interact. energy: 1.227
local terms energy: -88.803407
where:
bonds (distance) C4'-P energy: -29.839
bonds (distance) P-C4' energy: -26.095
flat angles C4'-P-C4' energy: -21.398
flat angles P-C4'-P energy: -4.776
tors. eta vs tors. theta energy: -6.695
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: 4
=====================================
Write number: 475
Temperature: 0.900000
Total energy: -557.192335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.192335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.192335 (E_RNA)
where:
Base-Base interactions energy: -379.449
where: short stacking energy: -176.953
Base-Backbone interact. energy: -0.745
local terms energy: -176.998421
where:
bonds (distance) C4'-P energy: -32.264
bonds (distance) P-C4' energy: -29.426
flat angles C4'-P-C4' energy: -36.903
flat angles P-C4'-P energy: -28.153
tors. eta vs tors. theta energy: -50.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 475
Temperature: 0.950000
Total energy: -525.624218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.624218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.624218 (E_RNA)
where:
Base-Base interactions energy: -349.454
where: short stacking energy: -170.338
Base-Backbone interact. energy: -0.044
local terms energy: -176.125858
where:
bonds (distance) C4'-P energy: -31.158
bonds (distance) P-C4' energy: -33.572
flat angles C4'-P-C4' energy: -40.653
flat angles P-C4'-P energy: -25.936
tors. eta vs tors. theta energy: -44.807
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: 3, replica: 9
=====================================
Write number: 475
Temperature: 1.000000
Total energy: -445.157411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.157411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.157411 (E_RNA)
where:
Base-Base interactions energy: -280.799
where: short stacking energy: -145.154
Base-Backbone interact. energy: 0.721
local terms energy: -165.079638
where:
bonds (distance) C4'-P energy: -34.850
bonds (distance) P-C4' energy: -37.723
flat angles C4'-P-C4' energy: -32.022
flat angles P-C4'-P energy: -20.847
tors. eta vs tors. theta energy: -39.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 475
Temperature: 1.050000
Total energy: -444.080534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.080534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.080534 (E_RNA)
where:
Base-Base interactions energy: -299.163
where: short stacking energy: -142.490
Base-Backbone interact. energy: -0.758
local terms energy: -144.160031
where:
bonds (distance) C4'-P energy: -23.292
bonds (distance) P-C4' energy: -34.873
flat angles C4'-P-C4' energy: -28.965
flat angles P-C4'-P energy: -27.241
tors. eta vs tors. theta energy: -29.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 475
Temperature: 1.100000
Total energy: -447.481745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.481745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.481745 (E_RNA)
where:
Base-Base interactions energy: -280.380
where: short stacking energy: -144.445
Base-Backbone interact. energy: -0.100
local terms energy: -167.001808
where:
bonds (distance) C4'-P energy: -34.171
bonds (distance) P-C4' energy: -38.340
flat angles C4'-P-C4' energy: -31.594
flat angles P-C4'-P energy: -21.984
tors. eta vs tors. theta energy: -40.914
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: 3
=====================================
Write number: 475
Temperature: 1.150000
Total energy: -367.371150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.371150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.371150 (E_RNA)
where:
Base-Base interactions energy: -216.894
where: short stacking energy: -129.304
Base-Backbone interact. energy: -0.913
local terms energy: -149.563500
where:
bonds (distance) C4'-P energy: -35.632
bonds (distance) P-C4' energy: -33.906
flat angles C4'-P-C4' energy: -29.142
flat angles P-C4'-P energy: -18.837
tors. eta vs tors. theta energy: -32.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 475
Temperature: 1.200000
Total energy: -367.155583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.155583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.155583 (E_RNA)
where:
Base-Base interactions energy: -221.914
where: short stacking energy: -120.344
Base-Backbone interact. energy: -0.541
local terms energy: -144.701133
where:
bonds (distance) C4'-P energy: -35.171
bonds (distance) P-C4' energy: -28.640
flat angles C4'-P-C4' energy: -32.382
flat angles P-C4'-P energy: -19.058
tors. eta vs tors. theta energy: -29.450
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: 7
=====================================
Write number: 475
Temperature: 1.250000
Total energy: -262.649756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.649756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.649756 (E_RNA)
where:
Base-Base interactions energy: -143.581
where: short stacking energy: -97.797
Base-Backbone interact. energy: -0.224
local terms energy: -118.844947
where:
bonds (distance) C4'-P energy: -16.026
bonds (distance) P-C4' energy: -30.758
flat angles C4'-P-C4' energy: -32.218
flat angles P-C4'-P energy: -18.811
tors. eta vs tors. theta energy: -21.032
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: 1
=====================================
Write number: 475
Temperature: 1.300000
Total energy: -233.553786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.553786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.553786 (E_RNA)
where:
Base-Base interactions energy: -129.650
where: short stacking energy: -67.924
Base-Backbone interact. energy: -0.016
local terms energy: -103.888409
where:
bonds (distance) C4'-P energy: -24.689
bonds (distance) P-C4' energy: -29.339
flat angles C4'-P-C4' energy: -28.053
flat angles P-C4'-P energy: -20.336
tors. eta vs tors. theta energy: -1.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 475
Temperature: 1.350000
Total energy: -228.726514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.726514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.726514 (E_RNA)
where:
Base-Base interactions energy: -119.174
where: short stacking energy: -64.807
Base-Backbone interact. energy: 2.972
local terms energy: -112.525383
where:
bonds (distance) C4'-P energy: -26.467
bonds (distance) P-C4' energy: -36.686
flat angles C4'-P-C4' energy: -29.129
flat angles P-C4'-P energy: -15.344
tors. eta vs tors. theta energy: -4.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 476
Temperature: 0.900000
Total energy: -564.505756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.505756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.505756 (E_RNA)
where:
Base-Base interactions energy: -383.785
where: short stacking energy: -177.125
Base-Backbone interact. energy: -0.698
local terms energy: -180.022694
where:
bonds (distance) C4'-P energy: -33.580
bonds (distance) P-C4' energy: -36.130
flat angles C4'-P-C4' energy: -38.592
flat angles P-C4'-P energy: -23.111
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: 2, replica: 5
=====================================
Write number: 476
Temperature: 0.950000
Total energy: -520.542014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.542014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.542014 (E_RNA)
where:
Base-Base interactions energy: -344.812
where: short stacking energy: -180.971
Base-Backbone interact. energy: -0.173
local terms energy: -175.557326
where:
bonds (distance) C4'-P energy: -23.405
bonds (distance) P-C4' energy: -34.618
flat angles C4'-P-C4' energy: -40.527
flat angles P-C4'-P energy: -25.239
tors. eta vs tors. theta energy: -51.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 476
Temperature: 1.000000
Total energy: -453.059234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.059234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.059234 (E_RNA)
where:
Base-Base interactions energy: -287.029
where: short stacking energy: -150.166
Base-Backbone interact. energy: -0.118
local terms energy: -165.911903
where:
bonds (distance) C4'-P energy: -29.885
bonds (distance) P-C4' energy: -39.098
flat angles C4'-P-C4' energy: -33.798
flat angles P-C4'-P energy: -21.203
tors. eta vs tors. theta energy: -41.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 476
Temperature: 1.050000
Total energy: -452.678610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.678610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.678610 (E_RNA)
where:
Base-Base interactions energy: -300.803
where: short stacking energy: -140.930
Base-Backbone interact. energy: -0.443
local terms energy: -151.433051
where:
bonds (distance) C4'-P energy: -30.243
bonds (distance) P-C4' energy: -33.808
flat angles C4'-P-C4' energy: -34.561
flat angles P-C4'-P energy: -23.162
tors. eta vs tors. theta energy: -29.659
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: 5, replica: 10
=====================================
Write number: 476
Temperature: 1.100000
Total energy: -432.085198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.085198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.085198 (E_RNA)
where:
Base-Base interactions energy: -279.209
where: short stacking energy: -134.191
Base-Backbone interact. energy: -0.491
local terms energy: -152.385061
where:
bonds (distance) C4'-P energy: -33.043
bonds (distance) P-C4' energy: -33.293
flat angles C4'-P-C4' energy: -29.961
flat angles P-C4'-P energy: -18.676
tors. eta vs tors. theta energy: -37.412
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: 3
=====================================
Write number: 476
Temperature: 1.150000
Total energy: -365.058422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.058422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.058422 (E_RNA)
where:
Base-Base interactions energy: -228.183
where: short stacking energy: -128.563
Base-Backbone interact. energy: -1.094
local terms energy: -135.780910
where:
bonds (distance) C4'-P energy: -27.673
bonds (distance) P-C4' energy: -24.432
flat angles C4'-P-C4' energy: -34.676
flat angles P-C4'-P energy: -16.742
tors. eta vs tors. theta energy: -32.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 476
Temperature: 1.200000
Total energy: -341.596985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.596985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.596985 (E_RNA)
where:
Base-Base interactions energy: -207.684
where: short stacking energy: -101.821
Base-Backbone interact. energy: -0.181
local terms energy: -133.731972
where:
bonds (distance) C4'-P energy: -35.694
bonds (distance) P-C4' energy: -35.005
flat angles C4'-P-C4' energy: -26.346
flat angles P-C4'-P energy: -17.537
tors. eta vs tors. theta energy: -19.149
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: 7
=====================================
Write number: 476
Temperature: 1.250000
Total energy: -265.705321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.705321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.705321 (E_RNA)
where:
Base-Base interactions energy: -151.232
where: short stacking energy: -84.914
Base-Backbone interact. energy: 1.281
local terms energy: -115.754472
where:
bonds (distance) C4'-P energy: -22.441
bonds (distance) P-C4' energy: -31.821
flat angles C4'-P-C4' energy: -37.211
flat angles P-C4'-P energy: -13.004
tors. eta vs tors. theta energy: -11.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 476
Temperature: 1.300000
Total energy: -237.626146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.626146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.626146 (E_RNA)
where:
Base-Base interactions energy: -121.758
where: short stacking energy: -63.333
Base-Backbone interact. energy: -1.404
local terms energy: -114.463982
where:
bonds (distance) C4'-P energy: -28.810
bonds (distance) P-C4' energy: -31.224
flat angles C4'-P-C4' energy: -31.487
flat angles P-C4'-P energy: -14.562
tors. eta vs tors. theta energy: -8.380
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: 1
=====================================
Write number: 476
Temperature: 1.350000
Total energy: -230.034254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.034254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.034254 (E_RNA)
where:
Base-Base interactions energy: -106.000
where: short stacking energy: -56.157
Base-Backbone interact. energy: -0.096
local terms energy: -123.938365
where:
bonds (distance) C4'-P energy: -38.045
bonds (distance) P-C4' energy: -31.555
flat angles C4'-P-C4' energy: -31.952
flat angles P-C4'-P energy: -12.908
tors. eta vs tors. theta energy: -9.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 477
Temperature: 0.900000
Total energy: -547.321085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.321085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.321085 (E_RNA)
where:
Base-Base interactions energy: -373.070
where: short stacking energy: -174.042
Base-Backbone interact. energy: -0.474
local terms energy: -173.777344
where:
bonds (distance) C4'-P energy: -35.012
bonds (distance) P-C4' energy: -34.979
flat angles C4'-P-C4' energy: -37.362
flat angles P-C4'-P energy: -22.983
tors. eta vs tors. theta energy: -43.442
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: 5
=====================================
Write number: 477
Temperature: 0.950000
Total energy: -536.729901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.729901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.729901 (E_RNA)
where:
Base-Base interactions energy: -346.427
where: short stacking energy: -186.484
Base-Backbone interact. energy: -0.070
local terms energy: -190.233488
where:
bonds (distance) C4'-P energy: -29.941
bonds (distance) P-C4' energy: -37.259
flat angles C4'-P-C4' energy: -39.617
flat angles P-C4'-P energy: -27.609
tors. eta vs tors. theta energy: -55.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 477
Temperature: 1.000000
Total energy: -446.590666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.590666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.590666 (E_RNA)
where:
Base-Base interactions energy: -281.104
where: short stacking energy: -153.388
Base-Backbone interact. energy: -0.773
local terms energy: -164.714437
where:
bonds (distance) C4'-P energy: -34.713
bonds (distance) P-C4' energy: -28.726
flat angles C4'-P-C4' energy: -39.121
flat angles P-C4'-P energy: -24.670
tors. eta vs tors. theta energy: -37.484
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: 6
=====================================
Write number: 477
Temperature: 1.050000
Total energy: -464.233539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.233539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.233539 (E_RNA)
where:
Base-Base interactions energy: -305.225
where: short stacking energy: -153.206
Base-Backbone interact. energy: -1.415
local terms energy: -157.593571
where:
bonds (distance) C4'-P energy: -33.282
bonds (distance) P-C4' energy: -36.292
flat angles C4'-P-C4' energy: -36.107
flat angles P-C4'-P energy: -16.920
tors. eta vs tors. theta energy: -34.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 477
Temperature: 1.100000
Total energy: -412.645957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.645957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.645957 (E_RNA)
where:
Base-Base interactions energy: -256.984
where: short stacking energy: -126.941
Base-Backbone interact. energy: 0.941
local terms energy: -156.602556
where:
bonds (distance) C4'-P energy: -33.372
bonds (distance) P-C4' energy: -31.650
flat angles C4'-P-C4' energy: -38.074
flat angles P-C4'-P energy: -24.792
tors. eta vs tors. theta energy: -28.715
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: 3
=====================================
Write number: 477
Temperature: 1.150000
Total energy: -365.461881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.461881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.461881 (E_RNA)
where:
Base-Base interactions energy: -229.783
where: short stacking energy: -108.079
Base-Backbone interact. energy: -0.242
local terms energy: -135.437391
where:
bonds (distance) C4'-P energy: -37.782
bonds (distance) P-C4' energy: -28.907
flat angles C4'-P-C4' energy: -31.887
flat angles P-C4'-P energy: -13.736
tors. eta vs tors. theta energy: -23.125
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: 2
=====================================
Write number: 477
Temperature: 1.200000
Total energy: -324.865179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.865179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.865179 (E_RNA)
where:
Base-Base interactions energy: -203.049
where: short stacking energy: -102.833
Base-Backbone interact. energy: -0.292
local terms energy: -121.524020
where:
bonds (distance) C4'-P energy: -23.387
bonds (distance) P-C4' energy: -29.656
flat angles C4'-P-C4' energy: -29.993
flat angles P-C4'-P energy: -18.293
tors. eta vs tors. theta energy: -20.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 477
Temperature: 1.250000
Total energy: -252.126330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.126330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.126330 (E_RNA)
where:
Base-Base interactions energy: -129.105
where: short stacking energy: -75.597
Base-Backbone interact. energy: -0.126
local terms energy: -122.895387
where:
bonds (distance) C4'-P energy: -30.312
bonds (distance) P-C4' energy: -34.965
flat angles C4'-P-C4' energy: -30.108
flat angles P-C4'-P energy: -18.334
tors. eta vs tors. theta energy: -9.176
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: 7
=====================================
Write number: 477
Temperature: 1.300000
Total energy: -266.436135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.436135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.436135 (E_RNA)
where:
Base-Base interactions energy: -163.885
where: short stacking energy: -81.614
Base-Backbone interact. energy: -0.264
local terms energy: -102.286152
where:
bonds (distance) C4'-P energy: -24.922
bonds (distance) P-C4' energy: -22.542
flat angles C4'-P-C4' energy: -23.892
flat angles P-C4'-P energy: -19.727
tors. eta vs tors. theta energy: -11.204
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: 1
=====================================
Write number: 477
Temperature: 1.350000
Total energy: -237.251403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.251403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.251403 (E_RNA)
where:
Base-Base interactions energy: -116.872
where: short stacking energy: -67.684
Base-Backbone interact. energy: -0.658
local terms energy: -119.721425
where:
bonds (distance) C4'-P energy: -29.910
bonds (distance) P-C4' energy: -35.411
flat angles C4'-P-C4' energy: -28.132
flat angles P-C4'-P energy: -16.565
tors. eta vs tors. theta energy: -9.703
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: 4
=====================================
Write number: 478
Temperature: 0.900000
Total energy: -534.211982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.211982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.211982 (E_RNA)
where:
Base-Base interactions energy: -353.201
where: short stacking energy: -155.070
Base-Backbone interact. energy: -1.068
local terms energy: -179.942772
where:
bonds (distance) C4'-P energy: -39.035
bonds (distance) P-C4' energy: -32.888
flat angles C4'-P-C4' energy: -35.558
flat angles P-C4'-P energy: -32.083
tors. eta vs tors. theta energy: -40.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 478
Temperature: 0.950000
Total energy: -514.029099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.029099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.029099 (E_RNA)
where:
Base-Base interactions energy: -334.165
where: short stacking energy: -170.780
Base-Backbone interact. energy: 0.313
local terms energy: -180.177494
where:
bonds (distance) C4'-P energy: -27.111
bonds (distance) P-C4' energy: -36.286
flat angles C4'-P-C4' energy: -39.286
flat angles P-C4'-P energy: -27.065
tors. eta vs tors. theta energy: -50.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 478
Temperature: 1.000000
Total energy: -462.084131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.084131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.084131 (E_RNA)
where:
Base-Base interactions energy: -295.086
where: short stacking energy: -141.458
Base-Backbone interact. energy: -0.412
local terms energy: -166.586055
where:
bonds (distance) C4'-P energy: -35.239
bonds (distance) P-C4' energy: -35.669
flat angles C4'-P-C4' energy: -38.528
flat angles P-C4'-P energy: -22.878
tors. eta vs tors. theta energy: -34.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 478
Temperature: 1.050000
Total energy: -441.770661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.770661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.770661 (E_RNA)
where:
Base-Base interactions energy: -264.839
where: short stacking energy: -146.510
Base-Backbone interact. energy: -0.645
local terms energy: -176.286553
where:
bonds (distance) C4'-P energy: -31.893
bonds (distance) P-C4' energy: -35.511
flat angles C4'-P-C4' energy: -37.669
flat angles P-C4'-P energy: -29.869
tors. eta vs tors. theta energy: -41.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 478
Temperature: 1.100000
Total energy: -411.886530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.886530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.886530 (E_RNA)
where:
Base-Base interactions energy: -266.967
where: short stacking energy: -130.528
Base-Backbone interact. energy: -0.543
local terms energy: -144.376382
where:
bonds (distance) C4'-P energy: -27.356
bonds (distance) P-C4' energy: -26.931
flat angles C4'-P-C4' energy: -36.071
flat angles P-C4'-P energy: -25.711
tors. eta vs tors. theta energy: -28.307
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: 6, replica: 3
=====================================
Write number: 478
Temperature: 1.150000
Total energy: -334.286803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.286803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.286803 (E_RNA)
where:
Base-Base interactions energy: -202.331
where: short stacking energy: -103.104
Base-Backbone interact. energy: -0.553
local terms energy: -131.402240
where:
bonds (distance) C4'-P energy: -24.595
bonds (distance) P-C4' energy: -38.283
flat angles C4'-P-C4' energy: -35.289
flat angles P-C4'-P energy: -18.972
tors. eta vs tors. theta energy: -14.263
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: 2
=====================================
Write number: 478
Temperature: 1.200000
Total energy: -332.199168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.199168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.199168 (E_RNA)
where:
Base-Base interactions energy: -202.344
where: short stacking energy: -108.480
Base-Backbone interact. energy: -0.181
local terms energy: -129.673512
where:
bonds (distance) C4'-P energy: -28.292
bonds (distance) P-C4' energy: -30.447
flat angles C4'-P-C4' energy: -31.142
flat angles P-C4'-P energy: -15.248
tors. eta vs tors. theta energy: -24.545
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: 8
=====================================
Write number: 478
Temperature: 1.250000
Total energy: -249.420630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.420630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.420630 (E_RNA)
where:
Base-Base interactions energy: -126.819
where: short stacking energy: -77.861
Base-Backbone interact. energy: 0.822
local terms energy: -123.423647
where:
bonds (distance) C4'-P energy: -25.568
bonds (distance) P-C4' energy: -34.524
flat angles C4'-P-C4' energy: -31.736
flat angles P-C4'-P energy: -20.238
tors. eta vs tors. theta energy: -11.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 478
Temperature: 1.300000
Total energy: -234.867728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.867728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.867728 (E_RNA)
where:
Base-Base interactions energy: -140.252
where: short stacking energy: -66.284
Base-Backbone interact. energy: -0.420
local terms energy: -94.196064
where:
bonds (distance) C4'-P energy: -29.435
bonds (distance) P-C4' energy: -24.192
flat angles C4'-P-C4' energy: -25.733
flat angles P-C4'-P energy: -12.734
tors. eta vs tors. theta energy: -2.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 478
Temperature: 1.350000
Total energy: -238.770473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.770473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.770473 (E_RNA)
where:
Base-Base interactions energy: -114.783
where: short stacking energy: -64.633
Base-Backbone interact. energy: -0.189
local terms energy: -123.798582
where:
bonds (distance) C4'-P energy: -37.239
bonds (distance) P-C4' energy: -26.538
flat angles C4'-P-C4' energy: -35.761
flat angles P-C4'-P energy: -16.183
tors. eta vs tors. theta energy: -8.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 479
Temperature: 0.900000
Total energy: -538.269919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.269919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.269919 (E_RNA)
where:
Base-Base interactions energy: -363.181
where: short stacking energy: -166.085
Base-Backbone interact. energy: -0.613
local terms energy: -174.475857
where:
bonds (distance) C4'-P energy: -38.225
bonds (distance) P-C4' energy: -26.898
flat angles C4'-P-C4' energy: -36.759
flat angles P-C4'-P energy: -25.794
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: 5
=====================================
Write number: 479
Temperature: 0.950000
Total energy: -527.827291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.827291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.827291 (E_RNA)
where:
Base-Base interactions energy: -343.424
where: short stacking energy: -176.065
Base-Backbone interact. energy: -0.386
local terms energy: -184.017531
where:
bonds (distance) C4'-P energy: -32.356
bonds (distance) P-C4' energy: -40.464
flat angles C4'-P-C4' energy: -37.811
flat angles P-C4'-P energy: -20.360
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: 6
=====================================
Write number: 479
Temperature: 1.000000
Total energy: -488.661286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.661286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.661286 (E_RNA)
where:
Base-Base interactions energy: -324.923
where: short stacking energy: -139.570
Base-Backbone interact. energy: 1.635
local terms energy: -165.372562
where:
bonds (distance) C4'-P energy: -33.550
bonds (distance) P-C4' energy: -32.138
flat angles C4'-P-C4' energy: -35.197
flat angles P-C4'-P energy: -27.002
tors. eta vs tors. theta energy: -37.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 479
Temperature: 1.050000
Total energy: -434.639908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.639908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.639908 (E_RNA)
where:
Base-Base interactions energy: -269.497
where: short stacking energy: -145.290
Base-Backbone interact. energy: 2.665
local terms energy: -167.808227
where:
bonds (distance) C4'-P energy: -33.771
bonds (distance) P-C4' energy: -31.348
flat angles C4'-P-C4' energy: -36.174
flat angles P-C4'-P energy: -22.764
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: 5, replica: 10
=====================================
Write number: 479
Temperature: 1.100000
Total energy: -454.873593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.873593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.873593 (E_RNA)
where:
Base-Base interactions energy: -300.686
where: short stacking energy: -146.387
Base-Backbone interact. energy: -0.380
local terms energy: -153.807562
where:
bonds (distance) C4'-P energy: -26.085
bonds (distance) P-C4' energy: -31.359
flat angles C4'-P-C4' energy: -31.817
flat angles P-C4'-P energy: -23.472
tors. eta vs tors. theta energy: -41.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 479
Temperature: 1.150000
Total energy: -357.761511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.761511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.761511 (E_RNA)
where:
Base-Base interactions energy: -218.297
where: short stacking energy: -112.692
Base-Backbone interact. energy: -0.803
local terms energy: -138.661427
where:
bonds (distance) C4'-P energy: -25.203
bonds (distance) P-C4' energy: -35.015
flat angles C4'-P-C4' energy: -27.212
flat angles P-C4'-P energy: -25.132
tors. eta vs tors. theta energy: -26.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 479
Temperature: 1.200000
Total energy: -346.189850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.189850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.189850 (E_RNA)
where:
Base-Base interactions energy: -214.217
where: short stacking energy: -107.673
Base-Backbone interact. energy: -0.203
local terms energy: -131.769580
where:
bonds (distance) C4'-P energy: -28.070
bonds (distance) P-C4' energy: -33.302
flat angles C4'-P-C4' energy: -26.706
flat angles P-C4'-P energy: -20.658
tors. eta vs tors. theta energy: -23.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 479
Temperature: 1.250000
Total energy: -254.259367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.259367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.259367 (E_RNA)
where:
Base-Base interactions energy: -147.045
where: short stacking energy: -89.257
Base-Backbone interact. energy: -0.185
local terms energy: -107.029070
where:
bonds (distance) C4'-P energy: -27.390
bonds (distance) P-C4' energy: -27.286
flat angles C4'-P-C4' energy: -26.368
flat angles P-C4'-P energy: -15.252
tors. eta vs tors. theta energy: -10.733
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: 9, replica: 8
=====================================
Write number: 479
Temperature: 1.300000
Total energy: -233.091550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.091550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.091550 (E_RNA)
where:
Base-Base interactions energy: -133.686
where: short stacking energy: -75.169
Base-Backbone interact. energy: -0.519
local terms energy: -98.886299
where:
bonds (distance) C4'-P energy: -25.746
bonds (distance) P-C4' energy: -33.176
flat angles C4'-P-C4' energy: -23.111
flat angles P-C4'-P energy: -11.087
tors. eta vs tors. theta energy: -5.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 479
Temperature: 1.350000
Total energy: -218.602972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.602972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.602972 (E_RNA)
where:
Base-Base interactions energy: -126.133
where: short stacking energy: -79.163
Base-Backbone interact. energy: 7.117
local terms energy: -99.587166
where:
bonds (distance) C4'-P energy: -30.317
bonds (distance) P-C4' energy: -24.532
flat angles C4'-P-C4' energy: -19.112
flat angles P-C4'-P energy: -18.530
tors. eta vs tors. theta energy: -7.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 480
Temperature: 0.900000
Total energy: -548.927660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.927660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.927660 (E_RNA)
where:
Base-Base interactions energy: -366.175
where: short stacking energy: -158.282
Base-Backbone interact. energy: -0.544
local terms energy: -182.208382
where:
bonds (distance) C4'-P energy: -36.280
bonds (distance) P-C4' energy: -36.943
flat angles C4'-P-C4' energy: -38.403
flat angles P-C4'-P energy: -26.325
tors. eta vs tors. theta energy: -44.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 480
Temperature: 0.950000
Total energy: -534.737160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.737160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.737160 (E_RNA)
where:
Base-Base interactions energy: -350.448
where: short stacking energy: -175.244
Base-Backbone interact. energy: -0.068
local terms energy: -184.220759
where:
bonds (distance) C4'-P energy: -32.103
bonds (distance) P-C4' energy: -37.151
flat angles C4'-P-C4' energy: -32.363
flat angles P-C4'-P energy: -29.277
tors. eta vs tors. theta energy: -53.327
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: 6
=====================================
Write number: 480
Temperature: 1.000000
Total energy: -481.114474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.114474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.114474 (E_RNA)
where:
Base-Base interactions energy: -319.410
where: short stacking energy: -146.265
Base-Backbone interact. energy: 2.401
local terms energy: -164.105328
where:
bonds (distance) C4'-P energy: -34.762
bonds (distance) P-C4' energy: -35.682
flat angles C4'-P-C4' energy: -32.461
flat angles P-C4'-P energy: -27.815
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: 4, replica: 9
=====================================
Write number: 480
Temperature: 1.050000
Total energy: -437.553872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.553872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.553872 (E_RNA)
where:
Base-Base interactions energy: -283.183
where: short stacking energy: -133.702
Base-Backbone interact. energy: 3.920
local terms energy: -158.290069
where:
bonds (distance) C4'-P energy: -35.871
bonds (distance) P-C4' energy: -32.678
flat angles C4'-P-C4' energy: -32.703
flat angles P-C4'-P energy: -24.184
tors. eta vs tors. theta energy: -32.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 480
Temperature: 1.100000
Total energy: -439.623069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.623069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.623069 (E_RNA)
where:
Base-Base interactions energy: -287.027
where: short stacking energy: -140.141
Base-Backbone interact. energy: -0.803
local terms energy: -151.792534
where:
bonds (distance) C4'-P energy: -26.119
bonds (distance) P-C4' energy: -32.848
flat angles C4'-P-C4' energy: -27.694
flat angles P-C4'-P energy: -22.662
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: 2
=====================================
Write number: 480
Temperature: 1.150000
Total energy: -351.694573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.694573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.694573 (E_RNA)
where:
Base-Base interactions energy: -196.855
where: short stacking energy: -113.726
Base-Backbone interact. energy: -0.811
local terms energy: -154.028535
where:
bonds (distance) C4'-P energy: -33.727
bonds (distance) P-C4' energy: -30.979
flat angles C4'-P-C4' energy: -30.429
flat angles P-C4'-P energy: -27.113
tors. eta vs tors. theta energy: -31.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 480
Temperature: 1.200000
Total energy: -353.137921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.137921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.137921 (E_RNA)
where:
Base-Base interactions energy: -233.358
where: short stacking energy: -105.471
Base-Backbone interact. energy: -0.235
local terms energy: -119.545426
where:
bonds (distance) C4'-P energy: -31.164
bonds (distance) P-C4' energy: -23.534
flat angles C4'-P-C4' energy: -29.046
flat angles P-C4'-P energy: -25.419
tors. eta vs tors. theta energy: -10.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 480
Temperature: 1.250000
Total energy: -255.111515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.111515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.111515 (E_RNA)
where:
Base-Base interactions energy: -141.552
where: short stacking energy: -83.834
Base-Backbone interact. energy: -0.389
local terms energy: -113.170147
where:
bonds (distance) C4'-P energy: -30.652
bonds (distance) P-C4' energy: -29.750
flat angles C4'-P-C4' energy: -24.526
flat angles P-C4'-P energy: -19.058
tors. eta vs tors. theta energy: -9.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 480
Temperature: 1.300000
Total energy: -237.950502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.950502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.950502 (E_RNA)
where:
Base-Base interactions energy: -129.800
where: short stacking energy: -68.409
Base-Backbone interact. energy: -1.415
local terms energy: -106.735479
where:
bonds (distance) C4'-P energy: -30.708
bonds (distance) P-C4' energy: -30.557
flat angles C4'-P-C4' energy: -27.910
flat angles P-C4'-P energy: -14.337
tors. eta vs tors. theta energy: -3.223
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: 8
=====================================
Write number: 480
Temperature: 1.350000
Total energy: -219.054636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.054636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.054636 (E_RNA)
where:
Base-Base interactions energy: -122.313
where: short stacking energy: -69.412
Base-Backbone interact. energy: -0.586
local terms energy: -96.155405
where:
bonds (distance) C4'-P energy: -24.702
bonds (distance) P-C4' energy: -24.014
flat angles C4'-P-C4' energy: -27.687
flat angles P-C4'-P energy: -17.690
tors. eta vs tors. theta energy: -2.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 481
Temperature: 0.900000
Total energy: -542.639639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.639639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.639639 (E_RNA)
where:
Base-Base interactions energy: -372.733
where: short stacking energy: -159.856
Base-Backbone interact. energy: -0.617
local terms energy: -169.289475
where:
bonds (distance) C4'-P energy: -36.189
bonds (distance) P-C4' energy: -30.615
flat angles C4'-P-C4' energy: -34.535
flat angles P-C4'-P energy: -29.169
tors. eta vs tors. theta energy: -38.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 481
Temperature: 0.950000
Total energy: -560.011074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.011074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.011074 (E_RNA)
where:
Base-Base interactions energy: -363.533
where: short stacking energy: -192.693
Base-Backbone interact. energy: -0.319
local terms energy: -196.159173
where:
bonds (distance) C4'-P energy: -35.254
bonds (distance) P-C4' energy: -37.466
flat angles C4'-P-C4' energy: -38.362
flat angles P-C4'-P energy: -27.629
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: 3, replica: 6
=====================================
Write number: 481
Temperature: 1.000000
Total energy: -494.379930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.379930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.379930 (E_RNA)
where:
Base-Base interactions energy: -326.897
where: short stacking energy: -152.137
Base-Backbone interact. energy: -0.573
local terms energy: -166.910228
where:
bonds (distance) C4'-P energy: -31.905
bonds (distance) P-C4' energy: -40.376
flat angles C4'-P-C4' energy: -35.979
flat angles P-C4'-P energy: -15.963
tors. eta vs tors. theta energy: -42.688
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: 9
=====================================
Write number: 481
Temperature: 1.050000
Total energy: -462.093797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.093797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.093797 (E_RNA)
where:
Base-Base interactions energy: -299.107
where: short stacking energy: -149.035
Base-Backbone interact. energy: -0.702
local terms energy: -162.284223
where:
bonds (distance) C4'-P energy: -26.899
bonds (distance) P-C4' energy: -35.229
flat angles C4'-P-C4' energy: -34.109
flat angles P-C4'-P energy: -22.852
tors. eta vs tors. theta energy: -43.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 481
Temperature: 1.100000
Total energy: -457.660813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.660813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.660813 (E_RNA)
where:
Base-Base interactions energy: -295.781
where: short stacking energy: -152.881
Base-Backbone interact. energy: -0.381
local terms energy: -161.499013
where:
bonds (distance) C4'-P energy: -25.051
bonds (distance) P-C4' energy: -36.254
flat angles C4'-P-C4' energy: -36.456
flat angles P-C4'-P energy: -22.053
tors. eta vs tors. theta energy: -41.685
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: 6, replica: 2
=====================================
Write number: 481
Temperature: 1.150000
Total energy: -337.233911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.233911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.233911 (E_RNA)
where:
Base-Base interactions energy: -195.914
where: short stacking energy: -91.426
Base-Backbone interact. energy: -1.115
local terms energy: -140.205370
where:
bonds (distance) C4'-P energy: -36.192
bonds (distance) P-C4' energy: -32.671
flat angles C4'-P-C4' energy: -31.911
flat angles P-C4'-P energy: -25.101
tors. eta vs tors. theta energy: -14.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 481
Temperature: 1.200000
Total energy: -337.210664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.210664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.210664 (E_RNA)
where:
Base-Base interactions energy: -218.984
where: short stacking energy: -103.295
Base-Backbone interact. energy: -0.911
local terms energy: -117.315155
where:
bonds (distance) C4'-P energy: -26.300
bonds (distance) P-C4' energy: -26.798
flat angles C4'-P-C4' energy: -22.339
flat angles P-C4'-P energy: -19.676
tors. eta vs tors. theta energy: -22.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 481
Temperature: 1.250000
Total energy: -259.507104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.507104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.507104 (E_RNA)
where:
Base-Base interactions energy: -142.418
where: short stacking energy: -71.139
Base-Backbone interact. energy: 0.618
local terms energy: -117.707291
where:
bonds (distance) C4'-P energy: -29.709
bonds (distance) P-C4' energy: -34.506
flat angles C4'-P-C4' energy: -30.269
flat angles P-C4'-P energy: -16.430
tors. eta vs tors. theta energy: -6.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 481
Temperature: 1.300000
Total energy: -228.989802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.989802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.989802 (E_RNA)
where:
Base-Base interactions energy: -117.142
where: short stacking energy: -65.556
Base-Backbone interact. energy: -0.559
local terms energy: -111.288641
where:
bonds (distance) C4'-P energy: -25.379
bonds (distance) P-C4' energy: -31.074
flat angles C4'-P-C4' energy: -28.893
flat angles P-C4'-P energy: -16.511
tors. eta vs tors. theta energy: -9.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 481
Temperature: 1.350000
Total energy: -220.473336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.473336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.473336 (E_RNA)
where:
Base-Base interactions energy: -101.891
where: short stacking energy: -60.709
Base-Backbone interact. energy: 0.691
local terms energy: -119.273513
where:
bonds (distance) C4'-P energy: -31.382
bonds (distance) P-C4' energy: -32.347
flat angles C4'-P-C4' energy: -23.392
flat angles P-C4'-P energy: -18.557
tors. eta vs tors. theta energy: -13.595
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: 5
=====================================
Write number: 482
Temperature: 0.900000
Total energy: -584.124031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.124031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.124031 (E_RNA)
where:
Base-Base interactions energy: -383.450
where: short stacking energy: -198.395
Base-Backbone interact. energy: -0.016
local terms energy: -200.658293
where:
bonds (distance) C4'-P energy: -37.840
bonds (distance) P-C4' energy: -37.241
flat angles C4'-P-C4' energy: -40.719
flat angles P-C4'-P energy: -28.445
tors. eta vs tors. theta energy: -56.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 482
Temperature: 0.950000
Total energy: -540.268267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.268267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.268267 (E_RNA)
where:
Base-Base interactions energy: -376.975
where: short stacking energy: -162.499
Base-Backbone interact. energy: 0.330
local terms energy: -163.622951
where:
bonds (distance) C4'-P energy: -31.956
bonds (distance) P-C4' energy: -35.648
flat angles C4'-P-C4' energy: -31.277
flat angles P-C4'-P energy: -24.726
tors. eta vs tors. theta energy: -40.017
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: 6
=====================================
Write number: 482
Temperature: 1.000000
Total energy: -471.482661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.482661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.482661 (E_RNA)
where:
Base-Base interactions energy: -312.686
where: short stacking energy: -137.361
Base-Backbone interact. energy: 0.245
local terms energy: -159.041813
where:
bonds (distance) C4'-P energy: -30.320
bonds (distance) P-C4' energy: -34.556
flat angles C4'-P-C4' energy: -40.061
flat angles P-C4'-P energy: -22.664
tors. eta vs tors. theta energy: -31.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 482
Temperature: 1.050000
Total energy: -461.440299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.440299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.440299 (E_RNA)
where:
Base-Base interactions energy: -298.643
where: short stacking energy: -158.202
Base-Backbone interact. energy: 0.254
local terms energy: -163.051453
where:
bonds (distance) C4'-P energy: -32.056
bonds (distance) P-C4' energy: -26.210
flat angles C4'-P-C4' energy: -37.314
flat angles P-C4'-P energy: -24.741
tors. eta vs tors. theta energy: -42.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 482
Temperature: 1.100000
Total energy: -444.553522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.553522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.553522 (E_RNA)
where:
Base-Base interactions energy: -295.195
where: short stacking energy: -130.558
Base-Backbone interact. energy: -0.212
local terms energy: -149.145999
where:
bonds (distance) C4'-P energy: -28.332
bonds (distance) P-C4' energy: -22.062
flat angles C4'-P-C4' energy: -36.629
flat angles P-C4'-P energy: -25.673
tors. eta vs tors. theta energy: -36.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 482
Temperature: 1.150000
Total energy: -334.345540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.345540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.345540 (E_RNA)
where:
Base-Base interactions energy: -208.869
where: short stacking energy: -101.845
Base-Backbone interact. energy: -0.709
local terms energy: -124.766897
where:
bonds (distance) C4'-P energy: -22.018
bonds (distance) P-C4' energy: -32.664
flat angles C4'-P-C4' energy: -30.474
flat angles P-C4'-P energy: -25.293
tors. eta vs tors. theta energy: -14.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 482
Temperature: 1.200000
Total energy: -348.464361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.464361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.464361 (E_RNA)
where:
Base-Base interactions energy: -216.629
where: short stacking energy: -101.569
Base-Backbone interact. energy: -1.116
local terms energy: -130.719929
where:
bonds (distance) C4'-P energy: -27.823
bonds (distance) P-C4' energy: -33.234
flat angles C4'-P-C4' energy: -24.649
flat angles P-C4'-P energy: -18.766
tors. eta vs tors. theta energy: -26.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 482
Temperature: 1.250000
Total energy: -264.619434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.619434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.619434 (E_RNA)
where:
Base-Base interactions energy: -145.811
where: short stacking energy: -79.982
Base-Backbone interact. energy: 1.328
local terms energy: -120.137155
where:
bonds (distance) C4'-P energy: -33.192
bonds (distance) P-C4' energy: -34.647
flat angles C4'-P-C4' energy: -23.372
flat angles P-C4'-P energy: -21.631
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: 9, replica: 8
=====================================
Write number: 482
Temperature: 1.300000
Total energy: -229.338422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.338422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.338422 (E_RNA)
where:
Base-Base interactions energy: -111.151
where: short stacking energy: -63.019
Base-Backbone interact. energy: 1.086
local terms energy: -119.274167
where:
bonds (distance) C4'-P energy: -26.447
bonds (distance) P-C4' energy: -38.414
flat angles C4'-P-C4' energy: -27.476
flat angles P-C4'-P energy: -23.620
tors. eta vs tors. theta energy: -3.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 482
Temperature: 1.350000
Total energy: -255.351768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.351768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.351768 (E_RNA)
where:
Base-Base interactions energy: -147.442
where: short stacking energy: -75.346
Base-Backbone interact. energy: 0.124
local terms energy: -108.033130
where:
bonds (distance) C4'-P energy: -29.651
bonds (distance) P-C4' energy: -32.953
flat angles C4'-P-C4' energy: -25.750
flat angles P-C4'-P energy: -10.340
tors. eta vs tors. theta energy: -9.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 483
Temperature: 0.900000
Total energy: -586.196541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.196541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.196541 (E_RNA)
where:
Base-Base interactions energy: -395.715
where: short stacking energy: -202.740
Base-Backbone interact. energy: -0.007
local terms energy: -190.474414
where:
bonds (distance) C4'-P energy: -28.274
bonds (distance) P-C4' energy: -33.333
flat angles C4'-P-C4' energy: -41.107
flat angles P-C4'-P energy: -29.595
tors. eta vs tors. theta energy: -58.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 483
Temperature: 0.950000
Total energy: -539.019696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.019696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.019696 (E_RNA)
where:
Base-Base interactions energy: -362.188
where: short stacking energy: -155.832
Base-Backbone interact. energy: -0.574
local terms energy: -176.257965
where:
bonds (distance) C4'-P energy: -33.814
bonds (distance) P-C4' energy: -34.783
flat angles C4'-P-C4' energy: -34.992
flat angles P-C4'-P energy: -30.229
tors. eta vs tors. theta energy: -42.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 483
Temperature: 1.000000
Total energy: -481.709028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.709028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.709028 (E_RNA)
where:
Base-Base interactions energy: -330.160
where: short stacking energy: -152.885
Base-Backbone interact. energy: -1.686
local terms energy: -149.863478
where:
bonds (distance) C4'-P energy: -27.072
bonds (distance) P-C4' energy: -29.984
flat angles C4'-P-C4' energy: -27.926
flat angles P-C4'-P energy: -21.796
tors. eta vs tors. theta energy: -43.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 483
Temperature: 1.050000
Total energy: -449.662113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.662113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.662113 (E_RNA)
where:
Base-Base interactions energy: -280.682
where: short stacking energy: -144.017
Base-Backbone interact. energy: -0.648
local terms energy: -168.331862
where:
bonds (distance) C4'-P energy: -38.501
bonds (distance) P-C4' energy: -33.740
flat angles C4'-P-C4' energy: -28.739
flat angles P-C4'-P energy: -22.682
tors. eta vs tors. theta energy: -44.671
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: 5, replica: 10
=====================================
Write number: 483
Temperature: 1.100000
Total energy: -479.853356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.853356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.853356 (E_RNA)
where:
Base-Base interactions energy: -335.944
where: short stacking energy: -142.139
Base-Backbone interact. energy: -0.409
local terms energy: -143.500301
where:
bonds (distance) C4'-P energy: -21.964
bonds (distance) P-C4' energy: -27.346
flat angles C4'-P-C4' energy: -35.882
flat angles P-C4'-P energy: -22.666
tors. eta vs tors. theta energy: -35.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 483
Temperature: 1.150000
Total energy: -355.466524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.466524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.466524 (E_RNA)
where:
Base-Base interactions energy: -222.069
where: short stacking energy: -91.655
Base-Backbone interact. energy: -0.672
local terms energy: -132.725218
where:
bonds (distance) C4'-P energy: -33.492
bonds (distance) P-C4' energy: -28.885
flat angles C4'-P-C4' energy: -27.428
flat angles P-C4'-P energy: -22.349
tors. eta vs tors. theta energy: -20.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 483
Temperature: 1.200000
Total energy: -351.572714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.572714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.572714 (E_RNA)
where:
Base-Base interactions energy: -228.118
where: short stacking energy: -105.494
Base-Backbone interact. energy: 0.435
local terms energy: -123.889390
where:
bonds (distance) C4'-P energy: -22.831
bonds (distance) P-C4' energy: -31.502
flat angles C4'-P-C4' energy: -35.040
flat angles P-C4'-P energy: -20.316
tors. eta vs tors. theta energy: -14.200
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: 1
=====================================
Write number: 483
Temperature: 1.250000
Total energy: -257.528339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.528339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.528339 (E_RNA)
where:
Base-Base interactions energy: -134.461
where: short stacking energy: -77.349
Base-Backbone interact. energy: -0.136
local terms energy: -122.931276
where:
bonds (distance) C4'-P energy: -30.274
bonds (distance) P-C4' energy: -35.406
flat angles C4'-P-C4' energy: -32.357
flat angles P-C4'-P energy: -22.386
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: 9, replica: 8
=====================================
Write number: 483
Temperature: 1.300000
Total energy: -241.088022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.088022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.088022 (E_RNA)
where:
Base-Base interactions energy: -135.462
where: short stacking energy: -75.757
Base-Backbone interact. energy: -0.382
local terms energy: -105.244152
where:
bonds (distance) C4'-P energy: -26.652
bonds (distance) P-C4' energy: -31.833
flat angles C4'-P-C4' energy: -29.225
flat angles P-C4'-P energy: -15.083
tors. eta vs tors. theta energy: -2.451
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: 10, replica: 7
=====================================
Write number: 483
Temperature: 1.350000
Total energy: -239.280748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.280748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.280748 (E_RNA)
where:
Base-Base interactions energy: -123.117
where: short stacking energy: -72.330
Base-Backbone interact. energy: 1.858
local terms energy: -118.021023
where:
bonds (distance) C4'-P energy: -36.020
bonds (distance) P-C4' energy: -30.962
flat angles C4'-P-C4' energy: -23.423
flat angles P-C4'-P energy: -13.204
tors. eta vs tors. theta energy: -14.413
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)
out arg RESULTS//1/mRNA-bb560836_01
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 5
=====================================
Write number: 484
Temperature: 0.900000
Total energy: -580.125196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.125196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.125196 (E_RNA)
where:
Base-Base interactions energy: -384.115
where: short stacking energy: -194.012
Base-Backbone interact. energy: -0.014
local terms energy: -195.995735
where:
bonds (distance) C4'-P energy: -40.140
bonds (distance) P-C4' energy: -39.388
flat angles C4'-P-C4' energy: -39.016
flat angles P-C4'-P energy: -21.610
tors. eta vs tors. theta energy: -55.841
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: 4
=====================================
Write number: 484
Temperature: 0.950000
Total energy: -538.693297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.693297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.693297 (E_RNA)
where:
Base-Base interactions energy: -367.596
where: short stacking energy: -167.179
Base-Backbone interact. energy: -0.657
local terms energy: -170.440247
where:
bonds (distance) C4'-P energy: -36.016
bonds (distance) P-C4' energy: -31.522
flat angles C4'-P-C4' energy: -30.677
flat angles P-C4'-P energy: -29.026
tors. eta vs tors. theta energy: -43.199
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: 6
=====================================
Write number: 484
Temperature: 1.000000
Total energy: -485.688557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.688557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.688557 (E_RNA)
where:
Base-Base interactions energy: -320.337
where: short stacking energy: -149.257
Base-Backbone interact. energy: -0.947
local terms energy: -164.404870
where:
bonds (distance) C4'-P energy: -37.216
bonds (distance) P-C4' energy: -28.702
flat angles C4'-P-C4' energy: -36.185
flat angles P-C4'-P energy: -26.409
tors. eta vs tors. theta energy: -35.894
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: 4, replica: 9
=====================================
Write number: 484
Temperature: 1.050000
Total energy: -455.068517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.068517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.068517 (E_RNA)
where:
Base-Base interactions energy: -289.426
where: short stacking energy: -147.758
Base-Backbone interact. energy: 2.001
local terms energy: -167.643050
where:
bonds (distance) C4'-P energy: -22.948
bonds (distance) P-C4' energy: -35.023
flat angles C4'-P-C4' energy: -41.081
flat angles P-C4'-P energy: -26.241
tors. eta vs tors. theta energy: -42.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 484
Temperature: 1.100000
Total energy: -489.204452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.204452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.204452 (E_RNA)
where:
Base-Base interactions energy: -331.803
where: short stacking energy: -156.649
Base-Backbone interact. energy: -0.088
local terms energy: -157.313121
where:
bonds (distance) C4'-P energy: -32.122
bonds (distance) P-C4' energy: -31.798
flat angles C4'-P-C4' energy: -35.410
flat angles P-C4'-P energy: -21.968
tors. eta vs tors. theta energy: -36.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 484
Temperature: 1.150000
Total energy: -342.654893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.654893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.654893 (E_RNA)
where:
Base-Base interactions energy: -202.376
where: short stacking energy: -105.652
Base-Backbone interact. energy: 0.979
local terms energy: -141.257735
where:
bonds (distance) C4'-P energy: -35.827
bonds (distance) P-C4' energy: -29.714
flat angles C4'-P-C4' energy: -36.855
flat angles P-C4'-P energy: -18.338
tors. eta vs tors. theta energy: -20.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 484
Temperature: 1.200000
Total energy: -349.657071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.657071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.657071 (E_RNA)
where:
Base-Base interactions energy: -210.252
where: short stacking energy: -98.787
Base-Backbone interact. energy: -0.160
local terms energy: -139.245202
where:
bonds (distance) C4'-P energy: -34.729
bonds (distance) P-C4' energy: -34.823
flat angles C4'-P-C4' energy: -31.935
flat angles P-C4'-P energy: -20.958
tors. eta vs tors. theta energy: -16.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 484
Temperature: 1.250000
Total energy: -288.175987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.175987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.175987 (E_RNA)
where:
Base-Base interactions energy: -169.937
where: short stacking energy: -98.504
Base-Backbone interact. energy: -0.984
local terms energy: -117.255068
where:
bonds (distance) C4'-P energy: -32.834
bonds (distance) P-C4' energy: -30.342
flat angles C4'-P-C4' energy: -27.043
flat angles P-C4'-P energy: -5.534
tors. eta vs tors. theta energy: -21.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 484
Temperature: 1.300000
Total energy: -230.464689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.464689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.464689 (E_RNA)
where:
Base-Base interactions energy: -117.625
where: short stacking energy: -65.890
Base-Backbone interact. energy: 0.214
local terms energy: -113.053642
where:
bonds (distance) C4'-P energy: -23.576
bonds (distance) P-C4' energy: -30.510
flat angles C4'-P-C4' energy: -28.488
flat angles P-C4'-P energy: -20.586
tors. eta vs tors. theta energy: -9.893
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: 7
=====================================
Write number: 484
Temperature: 1.350000
Total energy: -240.937782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.937782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.937782 (E_RNA)
where:
Base-Base interactions energy: -132.786
where: short stacking energy: -84.896
Base-Backbone interact. energy: -0.332
local terms energy: -107.819501
where:
bonds (distance) C4'-P energy: -23.677
bonds (distance) P-C4' energy: -30.449
flat angles C4'-P-C4' energy: -31.388
flat angles P-C4'-P energy: -9.880
tors. eta vs tors. theta energy: -12.425
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)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE